SCHEMBL3884038

SCHEMBL3884038

COC(=O)CCc1ccc(OC2Cc3ccccc3C2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.42
HPSE Q9Y251 1/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPK14 Q16539 1/20 0.39
PDE4A P27815 3/20 0.39
PDE4B Q07343 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
ROCK2 O75116 1/20 0.39
TGFBR1 P36897 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 1/20 0.38
MAP3K11 Q16584 1/20 0.38
TNIK Q9UKE5 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
SCHEMBL3882061 0.90 FFAR4 (0.45) TRPA1HPSEPDE4APDE4BPDE4C
SCHEMBL3679980 0.88 MAPK14 (0.43) TRPA1HPSECCNCCDK8MAPK14
SCHEMBL3882064 0.88 MAPK14 (0.42) TRPA1HPSECCNCCDK8MAPK14
SCHEMBL3881928 0.88 MAPK14 (0.42) TRPA1HPSECCNCCDK8MAPK14
SCHEMBL3884737 0.86 TRPA1 (0.41) TRPA1HPSECCNCCDK8MAPK14
SCHEMBL3889538 0.84 CCNC (0.52) CCNCCDK8PTPN1PDE4APDE4B
SCHEMBL3883920 0.83 TRPA1 (0.39) TRPA1HPSECCNCCDK8MAPK14
SCHEMBL3884507 0.83 AR (0.41) TRPA1CCNCCDK8PTPN1PDE4A
SCHEMBL3884035 0.82 TRPA1 (0.42) TRPA1HPSEMAPK14PDE4APDE4B
SCHEMBL3880534 0.81 CACNA1H (0.38) CCNCCDK8PTPN1PDE4APDE4B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US claimed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP claimed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US claimed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 TRPA1 135/4885HPSE 4402/4885CCNC 2174/4885

“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.