SCHEMBL1199752

SCHEMBL1199752

Cc1cccc(C)c1OCc1cc(Oc2ccccc2)ccc1C(O)C#N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.39
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
LTA4H P09960 1/20 0.35
TSHR P16473 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAOB P27338 1/20 0.34
AR P10275 1/20 0.34
PTGER4 P35408 1/20 0.34
PPARG P37231 1/20 0.34
SGMS2 Q8NHU3 1/20 0.33

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
SCHEMBL1201102 0.87 AR (0.37) FFAR1EGLN2EGLN1TSHRKDM4E
SCHEMBL1200700 0.84 MAOB (0.39) FFAR1TSHRKDM4EMAOB
SCHEMBL1201086 0.84 TSHR (0.35) FFAR1TSHRKDM4EMAOB
SCHEMBL1200733 0.84 KMT2A (0.41) TSHRKDM4EMAOB
SCHEMBL1200589 0.83 SCN8A (0.40) FFAR1TSHRFFAR4MAOBAR
SCHEMBL1200260 0.82 TSHR (0.34) FFAR1TSHRKDM4EMAOBAR
SCHEMBL28038431 0.81 TSHR (0.42) TSHRPTGER4SGMS2
SCHEMBL15375561 0.81 TSHR (0.42) TSHRPTGER4SGMS2
SCHEMBL1200371 0.81 AR (0.34) FFAR1TSHRKDM4EMAOBAR
SCHEMBL1199474 0.81 CYP2D6 (0.35) FFAR1TSHRKDM4EMAOB

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 FFAR1 4230/4885EGLN2 290/4885EGLN1 178/4885

“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.