SCHEMBL3254341

SCHEMBL3254341

CCS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
DDR1 Q08345 2/20 0.39
TSHR P16473 3/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.36
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36

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
SCHEMBL6891924 0.86 HPGD (0.64) HPGDCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL7573192 0.83 LMNA (0.45) HPGDCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL5101279 0.83 MAPT (0.47) HPGDCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL9709992 0.82 CYP1A2 (0.49) HPGDCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL7978923 0.81 ALDH1A1 (0.42) HPGDCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL6564104 0.80 MAPT (0.47) HPGDCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL6673408 0.80 CYP1A2 (0.47) HPGDCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL9709981 0.78 CYP1A2 (0.46) HPGDCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL9709898 0.78 IKBKB (0.49) HPGDCYP1A2CYP3A4CYP2D6MAPT
SCHEMBL6564003 0.76 DDR1 (0.43) HPGDCYP1A2CYP3A4CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427701-B1 3-AMINO CARBONYL-SUBSTITUTED BENZOYLCYCLOHEXANEDIONES THAT CAN BE USED AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2010-05-05 EP disclosed
US-7390827-B2 3-aminocarbonyl substituted benzoylpyrazolones BAYER CROPSCIENCE AG (DE) 2008-06-24 US disclosed
EP-1529034-B1 BENZOYLPYRAZOLONES SUBSTITUTED BY 3-AMINOCARBONYL BAYER CROPSCIENCE AG (DE) 2008-02-20 EP disclosed
EP-1379497-B1 DERIVATIVES OF BENZOYLCYCLOHEXANEDIONE AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2007-01-17 EP disclosed
EP-1315697-B1 HERBICIDAL BENZOYL CYCLOHEXANE DIONE BAYER CROPSCIENCE GMBH (DE) 2006-03-22 EP disclosed
CN-1235877-C Substd. N-phenyl-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide derivs. which elevate pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2006-01-11 CN disclosed
US-20050267184-A1 3-Aminocarbonyl substituted benzoylpyrazolones BAYER CROPSCIENCE GMBH (DE) 2005-12-01 US disclosed
US-6930208-B2 3-Keto- or 3- oxime-ether-substituted benzoylcyclohexanediones BAYER CROPSCIENCE GMBH (DE) 2005-08-16 US disclosed
US-6894070-B2 3-Aminocarbonyl substituted benzoylpyrazolones BAYER CROPSCIENCE GMBH (DE) 2005-05-17 US disclosed
EP-1529034-A1 BENZOYLPYRAZOLONES SUBSTITUTED BY 3-AMINOCARBONYL Bayer CropScience GmbH (DE) 2005-05-11 EP disclosed
CN-1387509-A Substd. N-phenyl-2-hydroxy-2-methyl-3,3,3-trifluoropropanamide derivs. which elevate pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2002-12-25 CN disclosed
US-20020165095-A1 Herbicidally active benzoylcyclohexanediones BAYER CROPSCIENCE GMBH (DE) 2002-11-07 US disclosed
WO-2002081434-A1 DERIVATIVES OF BENZOYLCYCLOHEXANEDIONE AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2002-10-17 WO disclosed
US-5097068-A For preparing herbicidal, substituted benzoyl cyclohexanediones ICI AMERICAS, INC. (US) 1992-03-17 US disclosed
US-4966998-A FOR PREPARING HERBICIDES, TRISUBSTITUTED BENZOYL CYCLOHEXANEDIONES ICI AMERICAS INC. (US) 1990-10-30 US disclosed
CN-1009086-B Process for preparing tri-substituted benzoic acid intermediates STAUFFER CHEMICAL CO (US) 1990-08-08 CN disclosed
US-4898973-A Trisubstituted benzoic acid intermediates ICI AMERICAS INC. (US) 1990-02-06 US disclosed
EP-0195247-B1 TRISUBSTITUTED BENZOIC ACID INTERMEDIATES STAUFFER CHEMICAL COMPANY (US) 1989-02-08 EP disclosed
CN-86101277-A Trisubstituted phenylformic acid intermediates preparation 1986-11-19 CN disclosed
EP-0195247-A1 Trisubstituted benzoic acid intermediates STAUFFER CHEMICAL COMPANY (US) 1986-09-24 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 (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-20020165095-A1 Herbicidally active benzoylcyclohexanediones DDT, CBR1, CBR3 HPGD 1668/4885CYP1A2 68/4885CYP3A4 414/4885
US-20050267184-A1 3-Aminocarbonyl substituted benzoylpyrazolones CBR3, CYCS, MT-CO2 HPGD 2149/4885CYP1A2 9/4885CYP3A4 72/4885

“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.