SCHEMBL1200416

SCHEMBL1200416

COc1ccc(OOC(C#N)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
PBRM1 Q86U86 1/20 0.50
ACP3 P15309 1/20 0.44
CA4 P22748 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 3/20 0.42
LTA4H P09960 2/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TRPA1 O75762 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
SCHEMBL1200707 0.86 ALDH1A1 (0.39) ALDH1A1PBRM1SMN1; SMN2GAALMNA
SCHEMBL27981276 0.84 ALDH1A1 (0.51) ALDH1A1PBRM1ACP3CA4SMN1; SMN2
SCHEMBL1201131 0.83 LMNA (0.43) ALDH1A1PBRM1SMN1; SMN2GAALMNA
SCHEMBL1201037 0.82 LTA4H (0.47) ALDH1A1PBRM1SMN1; SMN2GAALTA4H
SCHEMBL1199568 0.80 TRPA1 (0.43) ALDH1A1PBRM1SMN1; SMN2GAALMNA
SCHEMBL5055339 0.77 ALDH1A1 (0.58) ALDH1A1PBRM1ACP3CA4SMN1; SMN2
SCHEMBL28564579 0.76 PDE4A (0.44) ALDH1A1PBRM1CA4SMN1; SMN2KMT2A
SCHEMBL8964973 0.75 MAPT (0.60) ALDH1A1ACP3SMN1; SMN2GAALMNA
SCHEMBL198465 0.75 TSHR (0.46) ALDH1A1PBRM1SMN1; SMN2GAAPOLB
SCHEMBL198464 0.75 TSHR (0.46) ALDH1A1PBRM1SMN1; SMN2GAAPOLB

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 ALDH1A1 129/4885PBRM1 3722/4885ACP3 3061/4885

“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.