SCHEMBL5419988

SCHEMBL5419988

CCOc1nn(Cc2cc(C(F)(F)F)ccc2C(=O)O)c(=O)n1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.41
PPARA Q07869 10/20 0.41
PPARG P37231 6/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
PTGER1 P34995 3/20 0.39
CMA1 P23946 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
SORT1 Q99523 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6645908 0.85 PPARD (0.43) PPARDPPARAKDM4EALDH1A1HPGD
SCHEMBL6137047 0.85 HPD (0.45) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL5408510 0.76 KDM4E (0.39) PPARDPPARAPPARGKDM4EPTGER1
SCHEMBL421582 0.72 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL6296496 0.72 CFTR (0.44) PPARDPPARAPPARGKDM4EMRGPRX4
SCHEMBL6706444 0.70 KDM4E (0.40) PPARAPPARGKDM4EALDH1A1HPGD
SCHEMBL27575216 0.70 BRD4 (0.38) HSD17B10CYP2C19CMA1CYP2C9
SCHEMBL954464 0.70 HSD17B10 (0.66) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL9995051 0.68 ALDH1A1 (0.54) PPARDPPARAPPARGKDM4EALDH1A1
SCHEMBL477612 0.67 CYP2C19 (0.59) KDM4EALDH1A1HPGDHSD17B10CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-6924251-B1 Substituted benzoylcyclohexandiones BAYER AKTIENGESELLSCHAFT (DE) 2005-08-02 US disclosed
EP-1100789-B1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER CROPSCIENCE AG (DE) 2005-02-09 EP disclosed
US-20040248740-A1 Substituted benzoylpyrazoles MULLER KLAUS-HELMUT (DE) 2004-12-09 US disclosed
EP-1181280-B1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2004-12-01 EP disclosed
US-6762152-B1 FOUR TO SEVEN MEMBERED HETEROCYCLES SUBSTITUTED ON BENZENE RING; REACTION OF A KETONE WITH A SUBSTITUTED BENZOIC ACID BAYER AKTIENGESELLSCHAFT (DE) 2004-07-13 US disclosed
US-6746989-B1 HAVE STRONG HERBICIDAL ACTIVITY AND BROAD ACTIVITY SPECTRUM WHEN APPLIED TO SOIL AND ON ABOVE-GROUND PARTS OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
EP-1165547-B1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2003-08-27 EP disclosed
EP-1181280-A1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-02-27 EP disclosed
EP-1165547-A1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-01-02 EP disclosed
CN-1310714-A Substituted Benzoylcyclohexanediones BAYER AG (DE) 2001-08-29 CN disclosed
EP-1100789-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AG (DE) 2001-05-23 EP disclosed
WO-2000068204-A1 SUBSTITUTED BENZOYL KETONES, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed
WO-2000058306-A1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-10-05 WO disclosed
WO-2000005221-A1 SUBSTITUTED BENZOYLCYCLOHEXANDIONES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-03 WO 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-20040248740-A1 Substituted benzoylpyrazoles CYP1B1, CYP1A1, CYP2E1 PPARD 872/4885PPARA 941/4885PPARG 505/4885

“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.