SCHEMBL733740

SCHEMBL733740

O=C(OOCc1ccccc1)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NR4A2 P43354 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 2/20 0.41
FFAR1 O14842 2/20 0.41
PARP10 Q53GL7 1/20 0.41
CYP19A1 P11511 1/20 0.41
SRD5A2 P31213 1/20 0.40
TSHR P16473 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
SCHEMBL5167833 0.86 ALDH1A1 (0.52) ALDH1A1NR4A2KMT2AMEN1NR4A1
SCHEMBL7440434 0.83 HTR2A (0.53) ALDH1A1HTTMAOBLMNACYP2C19
SCHEMBL9065651 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1HTTGFER
SCHEMBL697595 0.81 KMT2A (0.60) ALDH1A1NR4A2KMT2AMEN1NR4A1
SCHEMBL28251887 0.80 ALDH1A1 (0.40) ALDH1A1NR4A2KMT2AMEN1NR4A1
SCHEMBL2317883 0.80 TDP1 (0.50) ALDH1A1KMT2AHSD17B10L3MBTL1TDP1
SCHEMBL8978756 0.79 MAPT (0.45) ALDH1A1HSD17B10L3MBTL1TDP1
SCHEMBL1041654 0.78 ALDH1A1 (0.52) ALDH1A1NR4A2KMT2AMEN1NR4A1
SCHEMBL4727517 0.76 ALDH1A1 (0.52) ALDH1A1KMT2AHSD17B10SLC6A2SLC6A3
Bicarbonate SCHEMBL9066694 0.75 ALDH1A1 (0.58) ALDH1A1NR4A2KMT2AMEN1NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801374-B2 Active compound combinations comprising carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2908639-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2015-08-26 EP disclosed
US-9102623-B2 Pyridinecarboxamides, useful-plant-protecting composition comprising them and processes for their preparation and their use BAYER CROPSCIENCE AG (DE) 2015-08-11 US disclosed
WO-2014060502-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-04-24 WO disclosed
EP-2675277-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR Bayer Intellectual Property GmbH (DE) 2013-12-25 EP disclosed
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US disclosed
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE ZIEMER FRANK (DE) 2012-10-04 US disclosed
WO-2012110517-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER CROPSCIENCE AG (DE) 2012-08-23 WO disclosed
US-8198214-B2 Solid formulation BAYER CROPSCIENCE AG (DE) 2012-06-12 US disclosed
US-5756422-A PLANT SAFENING AGENTS HOECHST SCHERING AGREVO GMBH (DE) 1998-05-26 US disclosed
US-5739079-A CEREAL, RICE, CORN CROP SAFENER MIXED WITH WEED HERBICIDE HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5733847-A Selective herbicidal compositions in the form of concentrated microemulsions HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-31 US disclosed
US-5698539-A PLANT SAFENING AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
CN-1133038-A Substituted isoxazolines, process for producing them, agents containing them and their use as safeners HOECHST SCHERING AGREVO GMBH (DE) 1996-10-09 CN disclosed
US-5536698-A Crop-protecting compositions containing isoxazolines or isothiazdines, novel isoxazolines, and their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-16 US disclosed
US-5516750-A FOR PESTICIDES AND HERBICIDES IN CROP PLANTS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-14 US disclosed
US-5380852-A Plant safening agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
CN-1086805-A (mixing) aryl compound that replaces, its preparation method, its preparation and purposes HOECHST AG (DE) 1994-05-18 CN disclosed
US-4613677-A One-step hydrogenation/esterification of benzyloxy phenoxy propanoic acid STAUFFER CHEMICAL COMPANY (US) 1986-09-23 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 (3 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-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 ALDH1A1 857/4885NR4A2 2023/4885KMT2A 1733/4885
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 ALDH1A1 1326/4885NR4A2 928/4885KMT2A 720/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER ALDH1A1 2487/4885NR4A2 2293/4885KMT2A 2630/4885

“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.