SCHEMBL13403306

SCHEMBL13403306

COC(=O)COc1cccc(/C=C/C(=O)c2c(O)c3c(oc2=O)CCCC3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 2/20 0.52
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAOB P27338 2/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNA3 P22001 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
ABCB1 P08183 1/20 0.39
IMPDH2 P12268 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38

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 0.84 NQO1 (0.56) NQO1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL13403302 0.82 NQO1 (0.54) NQO1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL12374847 0.82 CYSLTR2 (0.42) NQO1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL14514834 0.80 NQO1 (0.50) NQO1KDM4EALDH1A1MAOBMAPT
SCHEMBL13818119 0.74 CYSLTR2 (0.46) NQO1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL4523845 0.73 CYSLTR2 (0.47) NQO1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL4518410 0.73 LMNA (0.56) NQO1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL4523850 0.73 CYSLTR2 (0.47) NQO1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL4518413 0.73 LMNA (0.56) NQO1CYSLTR2CYSLTR1KDM4EALDH1A1
SCHEMBL12374841 0.73 NQO1 (0.45) NQO1CYSLTR2CYSLTR1KDM4EALDH1A1

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.