SCHEMBL1200542

SCHEMBL1200542

CCOc1ccccc1C(O)C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.46
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SGMS2 Q8NHU3 6/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
BRCA1 P38398 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.39
HCRTR1 O43613 1/20 0.39

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
SCHEMBL1901084 0.88 PPARG (0.41) CTDSP1ALDH1A1L3MBTL1TSHRMEN1
SCHEMBL27836366 0.88 PPARG (0.41) CTDSP1ALDH1A1L3MBTL1TSHRMEN1
SCHEMBL1899824 0.87 CYP1A2 (0.47) ALDH1A1L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL1201038 0.84 LTA4H (0.49) L3MBTL1MEN1KMT2ACYP1A2LMNA
SCHEMBL1199570 0.83 TSHR (0.47) ALOX15ALDH1A1L3MBTL1TSHRMEN1
SCHEMBL22144397 0.83 TSHR (0.47) ALOX15ALDH1A1L3MBTL1TSHRMEN1
SCHEMBL11603748 0.81 ALDH1A1 (0.54) CTDSP1ALOX15ALDH1A1L3MBTL1GLA
SCHEMBL1200910 0.80 ELANE (0.43) ALOX15ALDH1A1L3MBTL1GLATSHR
SCHEMBL1201034 0.80 TSHR (0.38) ALOX15ALDH1A1TSHRMEN1KMT2A
SCHEMBL1200820 0.79 TSHR (0.42) ALOX15ALDH1A1TSHRKDM4ESGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311800-B1 PROCESS FOR THE PRODUCTION OF A MANDELONITRILE COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-09-19 EP disclosed
EP-2325161-B1 METHOD FOR PRODUCING ALPHA-HYDROXYESTER COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-07-25 EP disclosed
US-8309752-B2 Process for production of mandelonitrile compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-8299288-B2 Method for producing α-hydroxyester compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-30 US disclosed
US-20110144372-A1 METHOD FOR PRODUCING a-HYDROXYESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-16 US disclosed
EP-2325161-A1 METHOD FOR PRODUCING -HYDROXYESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-05-25 EP disclosed
US-20110118498-A1 PROCESS FOR PRODUCTION OF MANDELONITRILE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 US disclosed
EP-2311800-A1 PROCESS FOR PRODUCTION OF MANDELONITRILE COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP 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 (3 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-20110118498-A1 PROCESS FOR PRODUCTION OF MANDELONITRILE COMPOUND ME1, CYC1, MRM1 CTDSP1 3886/4885ALOX15 2260/4885ALDH1A1 1376/4885
US-20110144372-A1 METHOD FOR PRODUCING a-HYDROXYESTER COMPOUND CYP17A1, CYP21A2, HSD11B2 CTDSP1 925/4885ALOX15 230/4885ALDH1A1 94/4885
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 CTDSP1 3504/4885ALOX15 877/4885ALDH1A1 129/4885

“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.