SCHEMBL3530356

SCHEMBL3530356

COc1c(C(=O)/C=C/c2cccc(OCC#N)c2)c(=O)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 5/20 0.53
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KCNA3 P22001 4/20 0.46
ABCG2 Q9UNQ0 3/20 0.45
P4HB P07237 1/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
BCHE P06276 1/20 0.42
MAOB P27338 2/20 0.41

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
SCHEMBL3530358 1.00 NQO1 (0.53) NQO1CA12CA9KDM4EMAPT
SCHEMBL3526166 0.88 NQO1 (0.61) NQO1CA12CA9KDM4EMAPT
SCHEMBL3526164 0.88 NQO1 (0.61) NQO1CA12CA9KDM4EMAPT
SCHEMBL3526134 0.86 NQO1 (0.54) NQO1CA12CA9KDM4EMAPT
SCHEMBL3526132 0.86 NQO1 (0.54) NQO1CA12CA9KDM4EMAPT
SCHEMBL3526056 0.80 ALDH1A1 (0.53) NQO1KDM4EMAPTKMT2ACYP1A2
SCHEMBL3526059 0.80 ALDH1A1 (0.53) NQO1KDM4EMAPTKMT2ACYP1A2
SCHEMBL3523068 0.78 RAB9A (0.60) NQO1KDM4EMAPTKMT2AALDH1A1
SCHEMBL3523071 0.78 RAB9A (0.60) NQO1KDM4EMAPTKMT2AALDH1A1
SCHEMBL3528353 0.76 CA12 (0.47) NQO1CA12CA9KDM4EMAPT

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-7691883-B2 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-06 US disclosed
US-20070265228-A1 Cinnamoyl compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-15 US disclosed
EP-1671961-A1 CINNAMOYL COMPOUND AND USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2006-06-21 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-20070265228-A1 Cinnamoyl compound and use of the same NPC1, CES2, CYP51A1 NQO1 143/4885CA12 234/4885CA9 133/4885

“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.