SCHEMBL13403233

SCHEMBL13403233

[C-]#[N+]COc1cccc(/C=C/C(=O)c2c(O)c3ccccc3oc2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 5/20 0.61
KDM4E B2RXH2 5/20 0.61
MAPT P10636 4/20 0.61
KMT2A Q03164 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
RECQL P46063 2/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.42

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
SCHEMBL3523962 0.85 NQO1 (0.62) NQO1KDM4EMAPTKMT2ACYP1A2
SCHEMBL3523961 0.85 NQO1 (0.62) NQO1KDM4EMAPTKMT2ACYP1A2
SCHEMBL3526166 0.85 NQO1 (0.61) NQO1KDM4EMAPTKMT2ACYP1A2
SCHEMBL3526164 0.85 NQO1 (0.61) NQO1KDM4EMAPTKMT2ACYP1A2
SCHEMBL12374662 0.81 PADI4 (0.47) NQO1KDM4EKMT2AMEN1ABCG2
SCHEMBL13403228 0.80 RAB9A (0.60) NQO1KDM4EMAPTKMT2ARECQL
SCHEMBL12374879 0.79 PADI4 (0.48) NQO1KDM4EKMT2AMEN1RAB9A
SCHEMBL31419764 0.79 NQO1 (0.85) NQO1KDM4EMAPTKMT2ACYP1A2
SCHEMBL10362376 0.79 NQO1 (0.85) NQO1KDM4EMAPTKMT2ACYP1A2
SCHEMBL10362375 0.79 NQO1 (0.85) NQO1KDM4EMAPTKMT2ACYP1A2

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 2 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

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 143/4885KDM4E 2988/4885MAPT 2195/4885

“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.