SCHEMBL2904713

SCHEMBL2904713

CC(=O)Nc1cccc(C(=O)C2C(=O)CCCC2=O)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.41
POLB P06746 2/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL10191430 0.79 TAS1R3 (0.47)
SCHEMBL2902825 0.78 HPD (0.36) ALDH1A1LMNA
SCHEMBL31302558 0.77 MGLL (0.42)
SCHEMBL13602382 0.76 POLB (0.51) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL28304609 0.75 POLB (0.50) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL10192439 0.75 CES2 (0.48) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8162960 0.74 LMNA (0.38) LMNA
SCHEMBL3792271 0.74 GPR35 (0.61) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL13690014 0.73 CLCN2 (0.50) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL2903868 0.73 MAPT (0.43) POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-09-02 US claimed
CN-1525959-A Muller Klaus-helmut �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-09-01 CN claimed
EP-1392660-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2004-03-03 EP claimed
WO-2002092574-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2002-11-21 WO claimed
EP-1392660-B1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER AG (DE) 2010-08-04 EP disclosed
US-7670991-B2 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER CROPSCIENCE AG (DE) 2010-03-02 US disclosed
CN-1301974-C Muller Klaus-helmut BAYER CROPSCIENCE AG (DE) 2007-02-28 CN disclosed
US-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-09-02 US disclosed
CN-1525959-A Muller Klaus-helmut �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-09-01 CN disclosed
EP-1392660-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2004-03-03 EP disclosed
WO-2002092574-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2002-11-21 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-20040171491-A1 Substituted benzoylcyclohexenones and their use as herbicidal agents DDT, CYP1B1, CYP1A1 HTR1F 2074/4885POLB 2423/4885CYP2C19 223/4885

“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.