SCHEMBL11290173

SCHEMBL11290173

CC(C)c1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
EIF4A3 P38919 1/20 0.40
AHR P35869 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 1/20 0.36
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL15934965 0.85 LMNA (0.38) ALDH1A1HSD17B10CYP3A4EIF4A3CYP1A2
SCHEMBL23695445 0.83 EIF4A3 (0.36) ALDH1A1HSD17B10CYP3A4EIF4A3CYP1A2
SCHEMBL12889907 0.82 EIF4A3 (0.40) ALDH1A1HSD17B10EIF4A3CYP1A2CYP2C9
SCHEMBL10346107 0.80 EIF4A3 (0.39) HSD17B10EIF4A3CYP1A2CYP2C9ALOX15
SCHEMBL21281618 0.80 EIF4A3 (0.39) HSD17B10EIF4A3CYP1A2CYP2C9ALOX15
SCHEMBL15713188 0.80 EIF4A3 (0.39) HSD17B10EIF4A3CYP1A2CYP2C9ALOX15
SCHEMBL15713194 0.79 HDAC4 (0.39) ALDH1A1HPGDEIF4A3SMN1; SMN2
SCHEMBL8950753 0.78 HSD17B10 (0.43) ALDH1A1HSD17B10CYP3A4HPGDCRHBP
SCHEMBL17553336 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4HPGDCRHBP
SCHEMBL25443271 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4HPGDEIF4A3

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-10-26 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
EP-3534709-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER AG (DE) 2021-06-16 EP disclosed
US-10820591-B2 Substituted sulfonyl amides for controlling animal pests BAYER AKTIENGESELLSCHAFT (DE) 2020-11-03 US disclosed
US-20190269134-A1 SUBSTITUTED SULFONYL AMIDES FOR CONTROLLING ANIMAL PESTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-05 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
EP-2916840-B1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS NUCORION PHARMACEUTICALS INC (US) 2017-11-01 EP disclosed
US-9744186-B2 Substituted gemcitabine aryl amide analogs NUCORION PHARMACEUTICALS, INC. (US) 2017-08-29 US disclosed
EP-3087155-A1 CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI Albemarle Corporation (US) 2016-11-02 EP disclosed
US-20160289527-A1 CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI ALBEMARLE CORP (US) 2016-10-06 US disclosed
WO-2015100004-A1 CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI ALBEMARLE CORPORATION (US) 2015-07-02 WO disclosed
US-8889710-B2 Parasiticidal dihydroisoxazole compounds ELI LILLY AND COMPANY (US) 2014-11-18 US disclosed
WO-2014074725-A1 SUBSTITUTED GEMCITABINE ARYL AMIDE ANALOGS OHIO STATE INNOVATION FOUNDATION (US) 2014-05-15 WO disclosed
US-20140107149-A1 PARASITICIDAL DIHYDROISOXAZOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2014-04-17 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
EP-0061720-A1 Process for the selective aliphatic chlorination of alkylbenzenes THE DOW CHEMICAL COMPANY (US) 1982-10-06 EP 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 (8 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ALDH1A1 4838/4885HSD17B10 4794/4885CYP3A4 4653/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF ALDH1A1 1842/4885HSD17B10 2499/4885CYP3A4 3785/4885
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 ALDH1A1 819/4885HSD17B10 200/4885CYP3A4 1161/4885
US-20140107149-A1 PARASITICIDAL DIHYDROISOXAZOLE COMPOUNDS DHODH, DDT, CYP51A1 ALDH1A1 714/4885HSD17B10 808/4885CYP3A4 358/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 ALDH1A1 778/4885HSD17B10 238/4885CYP3A4 1314/4885
US-20190269134-A1 SUBSTITUTED SULFONYL AMIDES FOR CONTROLLING ANIMAL PESTS MLYCD, STOM, DDT ALDH1A1 2367/4885HSD17B10 3195/4885CYP3A4 2644/4885
US-20230337677-A1 ARYL AND PYRIDYL AMIDE PESTICIDES AND COMPOSITIONS THEREOF DDT, ACHE, AHR ALDH1A1 2254/4885HSD17B10 2974/4885CYP3A4 151/4885
US-10820591-B2 Substituted sulfonyl amides for controlling animal pests MLYCD, STOM, DDT ALDH1A1 2367/4885HSD17B10 3195/4885CYP3A4 2644/4885

“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.