SCHEMBL3882541

SCHEMBL3882541

Cn1ncc2ccc(-c3cc(CCC(=O)O)ccc3OC3CCCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.47
S1PR1 P21453 4/20 0.45
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
SCD5 Q86SK9 1/20 0.39
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CTSC P53634 1/20 0.38
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL3882450 0.94 FFAR4 (0.46) FFAR4S1PR1ITGB1ITGA4ITGB7
SCHEMBL3888090 0.93 FFAR4 (0.46) FFAR4S1PR1ITGB1ITGA4ITGB7
SCHEMBL3881085 0.93 FFAR4 (0.46) FFAR4S1PR1ITGB1ITGA4ITGB7
SCHEMBL3885135 0.91 HRH3 (0.41) FFAR4S1PR1ITGB1ITGA4ITGB7
SCHEMBL3885133 0.85 FFAR4 (0.44) FFAR4ITGB1ITGA4ITGB7CCNC
SCHEMBL3882195 0.84 FFAR4 (0.45) FFAR4S1PR1THRATHRBS1PR3
SCHEMBL3888364 0.84 HRH3 (0.41) FFAR4CCNCCDK8HRH3CTSC
SCHEMBL3883023 0.84 HRH3 (0.40) FFAR4ITGB1ITGA4ITGB7CCNC
SCHEMBL3882805 0.84 FFAR4 (0.44) FFAR4S1PR1ITGB1ITGA4ITGB7
SCHEMBL3883936 0.84 FFAR4 (0.44) FFAR4S1PR1ITGB1ITGA4ITGB7

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 FFAR4 115/4885S1PR1 77/4885ITGB1 2758/4885

“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.