SCHEMBL3887919

SCHEMBL3887919

COC(=O)CCc1cc(-c2ccc3ccccc3c2)c(OCCc2ccc(C)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ PTPN1 P18031 2/20 0.38
▸ REN P00797 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ VDR P11473 2/20 0.35
▸ PPARG P37231 1/20 0.35

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
SCHEMBL27627098 0.94 CCNC (0.46) CCNCCDK8PTPN1KMT2AALDH1A1
SCHEMBL3881486 0.92 CCNC (0.45) CCNCCDK8PTPN1KMT2AFFAR1
SCHEMBL3885405 0.91 FFAR1 (0.46) CCNCCDK8FFAR1FFAR4PTGES
SCHEMBL3886622 0.91 CCNC (0.42) CCNCCDK8PTPN1KMT2AALDH1A1
SCHEMBL3893514 0.89 CCNC (0.46) CCNCCDK8PTPN1ALDH1A1FFAR1
SCHEMBL27627101 0.87 CCNC (0.46) CCNCCDK8PTPN1ALDH1A1SLC6A2
SCHEMBL3881634 0.86 CCNC (0.45) CCNCCDK8PTPN1RENKMT2A
SCHEMBL6392023 0.86 CCNC (0.45) CCNCCDK8PTPN1RENKMT2A
SCHEMBL3682826 0.86 CCNC (0.51) CCNCCDK8PTPN1KMT2AALDH1A1
SCHEMBL3682378 0.85 CCNC (0.47) CCNCCDK8PTPN1KMT2APTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCNC 2174/4885CDK8 3600/4885PTPN1 1292/4885

“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.

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