SCHEMBL1200534

SCHEMBL1200534

CCCC(=O)OOC(C#N)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
LMNA P02545 2/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL1200908 0.88 TSHR (0.38) TSHRKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL28019883 0.81 CES2 (0.42) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1200602 0.81 TSHR (0.45) L3MBTL1TSHRCES2CES1SMN1; SMN2
SCHEMBL1199594 0.80 ALDH1A1 (0.44) CYP3A4CYP2D6TSHRKMT2ASMN1; SMN2
SCHEMBL28766479 0.79 MTNR1A (0.38) CYP2D6KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL28008233 0.77 L3MBTL1 (0.41) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1200944 0.76 TDP1 (0.49) L3MBTL1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL1201387 0.76 TSHR (0.38) L3MBTL1CYP3A4TSHRKMT2ASMN1; SMN2
SCHEMBL2453507 0.75 LMNA (0.52) L3MBTL1CYP3A4TSHRCES2CES1
SCHEMBL27836917 0.75 TSHR (0.40) TSHRKMT2ASMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 430/4885CYP1A2 378/4885CYP3A4 771/4885

“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.