SCHEMBL9971673

SCHEMBL9971673

COC(=O)/C(F)=C(\C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CES1 P23141 4/20 0.43
CES2 O00748 3/20 0.43
SRC P12931 1/20 0.43
ACHE P22303 1/20 0.41
CYP19A1 P11511 5/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
F2 P00734 1/20 0.40
POLB P06746 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15081529 0.83 TSHR (0.56) TSHRCES1CES2SRCCYP19A1
SCHEMBL14868118 0.83 TSHR (0.56) TSHRCES1CES2SRCCYP19A1
SCHEMBL14868116 0.83 TSHR (0.56) TSHRCES1CES2SRCCYP19A1
SCHEMBL18591422 0.83 ALDH1A1 (0.56) TSHRCES1CES2ACHECYP19A1
SCHEMBL18591421 0.83 ALDH1A1 (0.56) TSHRCES1CES2ACHECYP19A1
SCHEMBL27941250 0.82 TSHR (0.54) TSHRCES1CES2SRCCYP19A1
SCHEMBL7067607 0.81 CES1 (0.48) TSHRCES1CES2CYP19A1KMT2A
SCHEMBL7067606 0.81 CES1 (0.48) TSHRCES1CES2CYP19A1KMT2A
SCHEMBL18554999 0.81 CES1 (0.48) TSHRCES1CES2CYP19A1KMT2A
SCHEMBL4957182 0.80 TSHR (0.52) TSHRCES1CES2SRCCYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239755-A1 SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-07-18 US disclosed
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 US disclosed
US-11834434-B2 Substituted 2-heteroaryloxypyridines and salts thereof and their use as herbicidal agents BAYER AKTIENGESELLSCHAFT (DE) 2023-12-05 US disclosed
US-20230303549-A1 SUBSTITUTED HETEROARYLOXYPYRIDINES, THE SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2023-09-28 US disclosed
US-20230247986-A1 AQUEOUS CAPSULE SUSPENSION CONCENTRATES COMPRISING BIODEGRADABLE ESTER GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-10 US disclosed
US-20230151025-A1 SUBSTITUTED THIAZOLOPYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AG (DE) 2023-05-18 US disclosed
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
US-20230126893-A1 [(1,4,5-TRISUBSTITUTED-1H-PYRAZOL-3-YL)SULFANYL]ACETIC ACID DERIVATIVES, SALTS THEREOF, AND USE THEREOF AS ACTIVE HERBICIDAL INGREDIENTS BAYER AKTIENGESELLSCHAFT (DE) 2023-04-27 US disclosed
US-9968090-B2 Herbicide-safener compositions containing N-(1,3,4-oxadiazol-2-yl)aryl carboxylic acid amides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-05-15 US disclosed
US-9609863-B2 Herbicide/safener compositions containing N-(tetrazol-5-yl) aryl carboxylic acid amides and N-(triazol-5-yl) aryl carboxylic acid amides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-04-04 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
US-20140323301-A1 HERBICIDE/SAFENER COMPOSITIONS CONTAINING N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-10-30 US disclosed
US-20140121104-A1 HERBICIDE SAFENER COMPOSITIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-01 US disclosed
US-8309557-B2 Pyrimidin-4-ylpropanedinitrile derivatives, processes for their preparation and their use as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-13 US disclosed
US-20120157314-A1 NOVEL SUBSTITUTED PICOLINIC ACIDS, SALTS AND ACID DERIVATIVES THEREOF, AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20100240536-A1 PYRIMIDIN-4-YLPROPANEDINITRILE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-09-23 US disclosed
US-20100137139-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
US-20100137136-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
US-20100137138-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137138-A1 HERBICIDE/SAFENER COMBINATION DDT, GSTO1, GAP43 TSHR 1715/4885CES1 885/4885CES2 156/4885
US-20100137136-A1 HERBICIDE/SAFENER COMBINATION DDT, GAP43, CYP2W1 TSHR 1786/4885CES1 836/4885CES2 120/4885
US-20140323301-A1 HERBICIDE/SAFENER COMPOSITIONS CONTAINING N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES HDHD5, AADAC, DDT TSHR 832/4885CES1 1090/4885CES2 300/4885
US-20120157314-A1 NOVEL SUBSTITUTED PICOLINIC ACIDS, SALTS AND ACID DERIVATIVES THEREOF, AND USE THEREOF AS HERBICIDES HPD, ALAD, DDT TSHR 953/4885CES1 911/4885CES2 1651/4885
US-20230126893-A1 [(1,4,5-TRISUBSTITUTED-1H-PYRAZOL-3-YL)SULFANYL]ACETIC ACID DERIVATIVES, SALTS THEREOF, AND USE THEREOF AS ACTIVE HERBICIDAL INGREDIENTS SYMPK, ALDH7A1, AADAC TSHR 3187/4885CES1 333/4885CES2 1624/4885
US-20230247986-A1 AQUEOUS CAPSULE SUSPENSION CONCENTRATES COMPRISING BIODEGRADABLE ESTER GROUPS SRM, SMS, PARG TSHR 3944/4885CES1 2395/4885CES2 717/4885
US-20240239755-A1 SUBSTITUTED PYRIDAZINONES, SALTS OR N-OXIDES THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES PNPO, WEE1, PDXK TSHR 1466/4885CES1 1081/4885CES2 1201/4885
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 TSHR 1321/4885CES1 936/4885CES2 99/4885
US-20100137139-A1 HERBICIDE/SAFENER COMBINATION CYP2W1, DDT, CBR3 TSHR 483/4885CES1 358/4885CES2 29/4885
US-20230303549-A1 SUBSTITUTED HETEROARYLOXYPYRIDINES, THE SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS DDT, AGPS, GMDS TSHR 877/4885CES1 543/4885CES2 525/4885
US-11834434-B2 Substituted 2-heteroaryloxypyridines and salts thereof and their use as herbicidal agents DDT, AGPS, GMDS TSHR 867/4885CES1 385/4885CES2 247/4885
US-20140121104-A1 HERBICIDE SAFENER COMPOSITIONS DDT, DNPH1, HDHD5 TSHR 3029/4885CES1 381/4885CES2 163/4885
US-20230151025-A1 SUBSTITUTED THIAZOLOPYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES TST, DDT, GMDS TSHR 321/4885CES1 658/4885CES2 364/4885
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM TSHR 2216/4885CES1 1104/4885CES2 496/4885
US-20100240536-A1 PYRIMIDIN-4-YLPROPANEDINITRILE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, PLPBP, HPD TSHR 708/4885CES1 3207/4885CES2 3462/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 TSHR 1321/4885CES1 936/4885CES2 99/4885
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS TSHR 853/4885CES1 1540/4885CES2 1763/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.