SCHEMBL1200733

SCHEMBL1200733

Cc1cccc(C)c1OCc1cc(OC(=O)c2ccccc2)ccc1C(O)C#N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
NPBWR1 P48145 1/20 0.38
MAOB P27338 1/20 0.38
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
CTSL P07711 1/20 0.36
NPC1 O15118 1/20 0.36
NR4A2 P43354 1/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL1200700 0.88 MAOB (0.39) KMT2AMAPTMEN1MRGPRX4KDM4E
SCHEMBL1199752 0.84 FFAR1 (0.39) KDM4EMAOBTSHR
SCHEMBL1200589 0.81 SCN8A (0.40) MRGPRX4MAOBTSHR
SCHEMBL1201086 0.80 TSHR (0.35) KMT2AMAPTTDP1MEN1KDM4E
SCHEMBL2291481 0.79 KMT2A (0.46) KMT2AMAPTTDP1MEN1KDM4E
SCHEMBL3149244 0.78 KMT2A (0.46) KMT2AMAPTTDP1MEN1KDM4E
SCHEMBL1200260 0.78 TSHR (0.34) KMT2AMEN1KDM4EMAOBTSHR
SCHEMBL1201102 0.78 AR (0.37) KMT2AMAPTMEN1KDM4EMAOB
SCHEMBL1201013 0.78 KMT2A (0.47) KMT2AMAPTTDP1MEN1KDM4E
SCHEMBL15375561 0.77 TSHR (0.42) KMT2AMAPTMEN1GAATSHR

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 KMT2A 1113/4885MAPT 4100/4885TDP1 4826/4885

“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.