SCHEMBL812308

SCHEMBL812308

Cc1cc(-c2ccc(Cl)cc2)cc(C)c1CC(=O)CCC(C)(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.42
SHMT2 P34897 1/20 0.42
PTGES2 Q9H7Z7 4/20 0.39
PTGES O14684 1/20 0.39
RXRB P28702 4/20 0.39
RXRA P19793 3/20 0.39
PPARA Q07869 3/20 0.38
LTB4R Q15722 2/20 0.38
MAP4K4 O95819 2/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
ADRA1A P35348 1/20 0.38
PPARG P37231 1/20 0.38
HTR2B P41595 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 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
SCHEMBL812230 0.86 SHMT1 (0.37) SHMT1SHMT2RXRBRXRAPPARA
SCHEMBL812154 0.78 TSHR (0.43) SHMT1SHMT2RXRBRXRATSHR
SCHEMBL812156 0.77 PTGDR2 (0.47) SHMT1SHMT2RXRBRXRACYP1A2
SCHEMBL812155 0.74 SHMT1 (0.39) SHMT1SHMT2RXRBRXRAPPARD
SCHEMBL812302 0.72 EGLN1 (0.41) SHMT1SHMT2PPARA
SCHEMBL811973 0.71 KDM4E (0.47) SHMT1SHMT2SMN1; SMN2
SCHEMBL812013 0.69 CYP2C19 (0.38) SHMT1SHMT2MAP4K4PPARD
SCHEMBL3283849 0.69 TDP1 (0.46) RXRBRXRAPPARATTRCYP1A2
SCHEMBL811817 0.68 CYP1A2 (0.38) PPARACYP1A2TSHR
SCHEMBL812012 0.68 TSHR (0.51) PPARACYP1A2TSHRSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-8058210-B2 Arylphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG (DE) 2011-11-15 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-7718706-B2 Arylphenyl-substituted cyclic keto-enols BAYER AKTIENGESELLSCHAFT (DE) 2010-05-18 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS LIEB FOLKER 2010-04-08 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-20080081807-A1 Arylphenyl-substituted cyclic keto-enols LIEB FOLKER 2008-04-03 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 US disclosed
US-7288676-B2 Arylphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-30 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-20080081807-A1 Arylphenyl-substituted cyclic keto-enols KCNE1, DDT, KCNQ3 SHMT1 3304/4885SHMT2 2603/4885PTGES2 882/4885
US-20100087320-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS KCNE1, DDT, KCNQ3 SHMT1 3304/4885SHMT2 2603/4885PTGES2 882/4885

“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.