SCHEMBL13403302

SCHEMBL13403302

COC(=O)COc1cccc(/C=C/C(=O)c2c(O)c(Br)c(C)oc2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.54
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
MAOB P27338 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
KCNA3 P22001 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
RECQL P46063 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 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
SCHEMBL13403308 0.90 NQO1 (0.56) NQO1CYSLTR2CYSLTR1MAOBABCG2
SCHEMBL2277990 0.83 NQO1 (0.44) NQO1CYSLTR2CYSLTR1MAOBABCG2
SCHEMBL2277998 0.83 NQO1 (0.44) NQO1CYSLTR2CYSLTR1MAOBABCG2
SCHEMBL13403306 0.82 NQO1 (0.52) NQO1CYSLTR2CYSLTR1MAOBABCG2
SCHEMBL5630234 0.80 MAPT (0.56) NQO1MAOBMAPTKDM4EKMT2A
SCHEMBL5630235 0.80 MAPT (0.56) NQO1MAOBMAPTKDM4EKMT2A
SCHEMBL4523845 0.77 CYSLTR2 (0.47) NQO1CYSLTR2CYSLTR1MAOBABCG2
SCHEMBL4523850 0.77 CYSLTR2 (0.47) NQO1CYSLTR2CYSLTR1MAOBABCG2
SCHEMBL12374841 0.77 NQO1 (0.45) NQO1CYSLTR2CYSLTR1MAOBABCG2
SCHEMBL2279958 0.77 ABCG2 (0.48) NQO1CYSLTR2CYSLTR1MAOBABCG2

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 4 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-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
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 143/4885CYSLTR2 604/4885CYSLTR1 585/4885

“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.