SCHEMBL3883753

SCHEMBL3883753

O=C(O)CCc1ccc(OCCc2ccc(F)cc2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
MDM2 Q00987 4/20 0.46
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
FFAR4 Q5NUL3 5/20 0.44
FFAR1 O14842 4/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
TRPA1 O75762 4/20 0.42
CDC7 O00311 1/20 0.42
ROCK2 O75116 1/20 0.42
GSK3B P49841 1/20 0.42
TGFBR1 P36897 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL27627114 0.93 FFAR1 (0.46) TP53MDM2CTNNB1WNT3AFFAR4
SCHEMBL3885123 0.93 TP53 (0.45) TP53MDM2CTNNB1WNT3AFFAR4
SCHEMBL3884799 0.92 TP53 (0.49) TP53MDM2CTNNB1WNT3AFFAR4
SCHEMBL3880673 0.91 CTNNB1 (0.44) TP53MDM2CTNNB1WNT3AFFAR4
SCHEMBL3882711 0.88 FFAR4 (0.47) TP53MDM2CTNNB1WNT3AFFAR4
SCHEMBL3884883 0.87 LTB4R (0.47) TP53MDM2FFAR4PPARGTRPA1
SCHEMBL27627093 0.86 LTB4R (0.46) FFAR4TRPA1
SCHEMBL3881723 0.85 TP53 (0.51) TP53MDM2FFAR4FFAR1ROCK2
SCHEMBL3884433 0.85 TRPA1 (0.47) TP53MDM2FFAR4FFAR1TRPA1
SCHEMBL3884095 0.84 TRPA1 (0.47) TP53MDM2FFAR4FFAR1PPARG

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 TP53 4018/4885MDM2 4035/4885CTNNB1 3629/4885

“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.