SCHEMBL2897989

SCHEMBL2897989

O=C1CCC=CC1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.51
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HBB P68871 1/20 0.41
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX1 P07099 1/20 0.36
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
DAO P14920 1/20 0.34
TSHR P16473 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL3260882 0.78 MAPT (0.38) MCL1MAPTALDH1A1L3MBTL1POLB
SCHEMBL6662015 0.73 F2 (0.30)
SCHEMBL749191 0.69 MCL1 (0.89) MCL1MAPTALOX15HTTHBB
SCHEMBL169913 0.68 MCL1 (0.65) MCL1MAPTALOX15HTTHBB
SCHEMBL11519541 0.68 MCL1 (0.76) MCL1MAPTALOX15HTTHBB
SCHEMBL600072 0.68 MCL1 (1.00) MCL1MAPTALOX15HTTHBB
SCHEMBL6575841 0.68 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL1357104 0.67 MCL1 (0.45) MCL1MAPTALOX15HTTHBB
SCHEMBL4242992 0.64 MAPT (0.42) MCL1MAPTALOX15HTTHBB
SCHEMBL15659956 0.64 MCL1 (0.65) MCL1MAPTALOX15HTTHBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263738-B1 SUBSTITUTED BENZOYLCYCLOHEXENONES BAYER CROPSCIENCE AG (DE) 2007-06-27 EP claimed
US-7196229-B2 Benzoylcyclohexenone derivatives BASF AKTIENGESELLSCHAFT (DE) 2007-03-27 US claimed
CN-1268615-C Substituted benzoylcyclohexenones BAYER AG (DE) 2006-08-09 CN claimed
US-6969697-B2 Substituted benzoylcyclohexenones BAYER AKTIENGESELLSCHAFT (DE) 2005-11-29 US claimed
US-20040235793-A1 Benzoylcyclohexenone derivatives BASF AKTIENGESELLSCHAFT (DE) 2004-11-25 US claimed
US-20040002599-A1 Substituted benzoycyclohexenones NIHON BAYER AGROCHEM K.K. (JP) 2004-01-01 US claimed
CN-1416422-A Substituted benzoylcyclohexenones BAYER AG (DE) 2003-05-07 CN claimed
EP-1263738-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES Bayer CropScience AG (DE) 2002-12-11 EP claimed
WO-2001066527-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-13 WO claimed
CN-107353238-B Substituted benzoylcyclohexan cyclohexadione compounds or its tautomer, salt, preparation method, Herbicidal combinations and application 青岛清原化合物有限公司 2019-09-03 CN disclosed
CN-107353238-A Substituted benzoylcyclohexan cyclohexadione compounds or its dynamic isomer, salt, preparation method, Herbicidal combinations and application 青岛清原化合物有限公司 2017-11-17 CN disclosed
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
US-7670991-B2 Substituted benzoylcyclohexenones and their use as herbicidal agents BAYER CROPSCIENCE AG (DE) 2010-03-02 US disclosed
WO-2001066527-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-13 WO disclosed
WO-2001066527-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-13 WO disclosed
WO-2001040200-A1 HERBICIDAL 3-(4,5-DIHYDROISOXAZOLE-3-YL)-SUBSTITUTED BENZOYLCYCLOHEXENONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-06-07 WO disclosed
US-6083969-A 2,3-DIARYLPYRAZOLES FUSED WITH CYCLOALKANES AND CYCLOALKENES, USED AS CYCLOOXYGENASE-2 (COX-2) INHIBITOR ORTHO-MCNEIL PHARACEUTICAL, INC. (US) 2000-07-04 US disclosed
EP-0673359-A1 BENZOYLCYCLOHEXENONES, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1995-09-27 EP disclosed
WO-1994013619-A1 BENZOYLCYCLOHEXENONES, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES AND PLANT-GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1994-06-23 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 (2 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-20040002599-A1 Substituted benzoycyclohexenones CYP1B1, CYP1A1, DDT MCL1 2214/4885MAPT 4442/4885ALOX15 2681/4885
US-20040235793-A1 Benzoylcyclohexenone derivatives CYC1, CYP1B1, CYP1A1 MCL1 2014/4885MAPT 3560/4885ALOX15 2862/4885

“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.