SCHEMBL1200535

SCHEMBL1200535

CCCC(=O)Oc1ccccc1C(O)C#N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.40
PPARG P37231 4/20 0.39
PPARA Q07869 1/20 0.38
PTGS2 P35354 2/20 0.36
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36
TSHR P16473 1/20 0.36
POLM Q9NP87 1/20 0.36
POLK Q9UBT6 1/20 0.36
POLL Q9UGP5 1/20 0.36
POLH Q9Y253 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
SCHEMBL1200910 0.88 ELANE (0.43) KMT2AKDM4EMEN1RECQLALOX15
SCHEMBL1199595 0.83 PTGS2 (0.47) KMT2AKDM4EMEN1LMNAPTGS2
Benzene SCHEMBL1200605 0.81 PTGS2 (0.50) KDM4ELMNAALOX15PTGS2TSHR
SCHEMBL11425288 0.80 KMT2A (0.50) KMT2AKDM4EMEN1RECQLLMNA
SCHEMBL1200603 0.79 MAPK1 (0.47) KMT2ALMNATSHR
Naphthalene SCHEMBL1200947 0.79 PTGS2 (0.44) KMT2AKDM4ERECQLLMNAPTGS2
SCHEMBL9312497 0.79 KMT2A (0.59) KMT2AKDM4EMEN1RECQLLMNA
SCHEMBL1200542 0.78 CTDSP1 (0.46) KMT2AKDM4EMEN1LMNAALOX15
SCHEMBL1201388 0.78 ELANE (0.51) LMNA
SCHEMBL1901084 0.77 PPARG (0.41) KMT2AKDM4EMEN1LMNAPPARG

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 1113/4885KDM4E 1728/4885MEN1 1561/4885

“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.