SCHEMBL1200677

SCHEMBL1200677

Cc1ccc(C)c(OCc2ccc(C(O)C#N)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
CYP2C9 P11712 3/20 0.43
TSHR P16473 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CYP1A2 P05177 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TTR P02766 1/20 0.40
CYP2C8 P10632 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA1A P35348 1/20 0.40
PPARG P37231 1/20 0.40
HTR2B P41595 1/20 0.40
PPARA Q07869 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40

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
SCHEMBL15872010 0.78 MAOB (0.47) ALDH1A1TSHRSMN1; SMN2HPGDNPC1
SCHEMBL27808425 0.76 SMN1; SMN2 (0.41) ALDH1A1CYP2C9TSHRSMN1; SMN2CYP1A2
SCHEMBL1200636 0.76 SMN1; SMN2 (0.41) ALDH1A1CYP2C9TSHRSMN1; SMN2CYP1A2
SCHEMBL3149374 0.74 ALDH1A1 (0.48) ALDH1A1CYP2C9TSHRSMN1; SMN2FFAR1
SCHEMBL14228414 0.74 MAPT (0.56) ALDH1A1KEAP1NFE2L2CYP2C9TSHR
SCHEMBL358451 0.74 TSHR (0.48) ALDH1A1CYP2C9TSHRCYP1A2RXRA
SCHEMBL2558238 0.74 ALDH1A1 (0.48) ALDH1A1CYP2C9TSHRSMN1; SMN2FFAR1
SCHEMBL15872037 0.73 GAA (0.60) ALDH1A1SMN1; SMN2TDP1HPGDNPC1
SCHEMBL15375303 0.73 PTGDR2 (0.43) ALDH1A1CYP2C9TSHRSMN1; SMN2CYP1A2
SCHEMBL15375383 0.73 PTGDR2 (0.43) ALDH1A1CYP2C9TSHRSMN1; SMN2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264005-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-02 EP disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 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 (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-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 ALDH1A1 129/4885KEAP1 4/4885NFE2L2 34/4885

“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.