SCHEMBL2897987

SCHEMBL2897987

O=C1CCCC=C1C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SRD5A2 P31213 1/20 0.39
ALOX15 P16050 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL3260876 0.77 MAPT (0.46) ALDH1A1L3MBTL1ALOX15MAPTTP53
SCHEMBL747380 0.77 HIF1A (0.38) ALDH1A1ALOX15MAPTTP53TSHR
SCHEMBL8533642 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL6068282 0.72 CNR2 (0.51) ALDH1A1TDP1MAPTLMNATSHR
SCHEMBL11883308 0.71 HIF1A (0.37) ALDH1A1ALOX15MAPTTP53CYP3A4
SCHEMBL10933450 0.71 GSTP1 (0.40) MAPTTP53SMN1; SMN2THRB
SCHEMBL810175 0.70 HDAC4 (0.48) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL11881465 0.69 ALDH1A1 (0.46) ALDH1A1L3MBTL1ATMTDP1SRD5A2
SCHEMBL17070213 0.69 ACMSD (0.51) ALDH1A1L3MBTL1ATMTDP1SRD5A2
Benzophenone SCHEMBL27766299 0.69 ALDH1A1 (0.82) ALDH1A1L3MBTL1ATMTDP1SRD5A2

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 71 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
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
EP-0249150-B1 CERTAIN 3-(SUBSTITUTED THIO)-2-BENZOYL-CYCLOHEX-2-ENONES STAUFFER CHEMICAL COMPANY (US) 1991-05-29 EP disclosed
EP-0253124-A3 CERTAIN SUBSTITUTED 3-(SUBSTITUTED OXY)-2-BENZOYL-CYCLOHEX-2-ENONES STAUFFER CHEMICAL COMPANY (US) 1988-07-06 EP disclosed
EP-0253124-A2 Certain substituted 3-(substituted oxy)-2-benzoyl-cyclohex-2-enones STAUFFER CHEMICAL COMPANY (US) 1988-01-20 EP disclosed
US-3930857-A RESIST PROCESS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1976-01-06 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 (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 ALDH1A1 100/4885L3MBTL1 2756/4885ATM 3466/4885
US-20040235793-A1 Benzoylcyclohexenone derivatives CYC1, CYP1B1, CYP1A1 ALDH1A1 389/4885L3MBTL1 605/4885ATM 3168/4885

“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.