SCHEMBL1200548

SCHEMBL1200548

CCc1ccccc1C(O)C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
MGLL Q99685 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
FPR1 P21462 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL8755381 0.92 MEN1 (0.40) TSHRGABRA1GABRB2CYP3A4CYP2D6
SCHEMBL15375368 0.83 FABP4 (0.40) TSHRGABRA1GABRB2MAPTNPSR1
SCHEMBL15375461 0.83 MAPT (0.46) TSHRMAPTNPSR1L3MBTL1MEN1
SCHEMBL27836988 0.82 CYSLTR2 (0.43) TSHRCYP3A4CYP2D6
SCHEMBL1199394 0.81 TSHR (0.39) TSHRL3MBTL1
SCHEMBL1200211 0.81 TSHR (0.39) TSHRMEN1KMT2ASMN1; SMN2GAA
SCHEMBL1199361 0.81 TSHR (0.39) TSHRMAPTNPSR1L3MBTL1MEN1
SCHEMBL1200951 0.80 TSHR (0.41) TSHRMAPTL3MBTL1MEN1KMT2A
SCHEMBL1199980 0.80 TSHR (0.41) TSHRL3MBTL1
SCHEMBL11602112 0.79 CYP3A4 (0.51) TSHRGABRA1GABRB2CYP3A4CYP2D6

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
EP-0527553-B1 Process for producing r(-)-mandelic acid and derivative thereof NITTO CHEMICAL INDUSTRY CO LTD (JP) 1997-05-07 EP claimed
US-5296373-A Stereoselective hydrolysis of mandelonitrile in neutral or basic aqueous medium NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-22 US claimed
EP-0527553-A1 Process for producing r(-)-mandelic acid and derivative thereof NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1993-02-17 EP claimed
CN-102007095-B Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL CO.,LTD. (JP) 2014-10-08 CN disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
CN-102007095-A Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL CO 2011-04-06 CN 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
US-5296373-A Stereoselective hydrolysis of mandelonitrile in neutral or basic aqueous medium NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-22 US disclosed
EP-0527553-A1 Process for producing r(-)-mandelic acid and derivative thereof NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1993-02-17 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 TSHR 4501/4885GABRA1 4514/4885GABRB2 4598/4885

“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.