SCHEMBL733453

SCHEMBL733453

COC(=O)C(C)Oc1ccc(Oc2cnc3cc(F)ccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
TP53 P04637 2/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
HIF1A Q16665 1/20 0.53
GMNN O75496 1/20 0.53
APEX1 P27695 1/20 0.53
PMP22 Q01453 1/20 0.53
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 5/20 0.48
NPC1 O15118 2/20 0.42

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
SCHEMBL29393267 0.96 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL11299600 0.90 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL8508358 0.89 ALDH1A1 (0.51) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL9420221 0.89 ALDH1A1 (0.54) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL9586772 0.88 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
Hydrochloric Acid SCHEMBL10947367 0.88 ALDH1A1 (0.53) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL11266521 0.88 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL10981472 0.87 ALDH1A1 (0.49) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL2042610 0.87 MAPT (0.70) MAPTSMN1; SMN2ALDH1A1LMNANPSR1
SCHEMBL11310987 0.87 MAPT (0.53) MAPTSMN1; SMN2ALDH1A1LMNANPSR1

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 188 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
EP-1893016-B1 WATER-IN-OIL SUSPOEMULSIONS BAYER IP GMBH (DE) 2017-09-13 EP disclosed
EP-1651039-B1 OIL SUSPENSION CONCENTRATE CONTAINING DIFLUFENICAN BAYER IP GMBH (DE) 2017-01-04 EP disclosed
EP-1928232-B1 SOLID FORMULATION BAYER IP GMBH (DE) 2016-07-13 EP 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
EP-2144879-B1 PYRIDON CARBOXAMIDES, AGENTS CONTAINING THESE BUT NOT IMPACTING USEFUL PLANTS AND METHOD FOR THEIR MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2015-04-08 EP disclosed
EP-1571908-B1 OIL SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2014-12-17 EP disclosed
WO-2014060502-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-04-24 WO disclosed
WO-1992016101-A1 MAIZE CAPABLE OF RESISTING HERBICIDES OF THE ARYLOXY-PHENOXY-ALKANE CARBOXYLIC ACID TYPE HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-01 WO disclosed
EP-0501986-A1 ISOXAZOLINES, METHOD OF PREPARATION THEREOF, AND THEIR USE AS PLANT-PROTECTION AGENTS Hoechst Schering AgrEvo GmbH (DE) 1992-09-09 EP disclosed
EP-0492366-A2 New 5-chloroquinolin-8-oxyalkanecarbonic acid derivatives, process for their preparation and their use as antidotes for herbicides Hoechst Schering AgrEvo GmbH (DE) 1992-07-01 EP disclosed
EP-0476555-A2 Synergistic herbicidal agents Hoechst Schering AgrEvo GmbH (DE) 1992-03-25 EP disclosed
WO-1992003053-A1 PLANT PROTECTING AGENTS CONTAINING ISOXAZOLINE OR ISOTHIAZOLINE AND NEW ISOXAZOLINES AND ISOTHIAZOLINES HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-05 WO disclosed
WO-1991018907-A1 PLANT-PROTECTING SUBSTITUTED ISOXAZOLINES, ISOXAZOLES, ISOTHIAZOLINES AND ISOTHIAZOLES, PROCESS FOR PRODUCING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-12-12 WO disclosed
WO-1991008202-A1 ISOXAZOLINES, METHOD OF PREPARATION THEREOF, AND THEIR USE AS PLANT-PROTECTION AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-13 WO disclosed
EP-0417626-A2 Plant protection agents containing N-arylhydrazones and N-arylhydrazones HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-20 EP disclosed
EP-0046467-B1 QUINOXALINE DERIVATIVES AND HERBICIDAL COMPOSITION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1985-03-27 EP disclosed
EP-0046467-A1 Quinoxaline derivatives and herbicidal composition NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1982-03-03 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 (1 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-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 MAPT 4268/4885SMN1; SMN2 4330/4885ALDH1A1 1326/4885

“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.