SCHEMBL3883141

SCHEMBL3883141

Cn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCC3CCCC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
FFAR4 Q5NUL3 4/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
AR P10275 4/20 0.39
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
XDH P47989 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
CTSC P53634 1/20 0.38
FFAR1 O14842 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
SCHEMBL3881852 0.99 THRA (0.45) S1PR1THRATHRBFFAR4RXRA
SCHEMBL3882779 0.90 S1PR1 (0.43) S1PR1THRATHRBFFAR4RXRA
SCHEMBL3884078 0.89 THRA (0.43) S1PR1THRATHRBFFAR4RXRA
SCHEMBL3882450 0.87 FFAR4 (0.46) S1PR1THRATHRBFFAR4RXRA
SCHEMBL3881085 0.86 FFAR4 (0.46) S1PR1THRATHRBFFAR4RXRA
SCHEMBL3888090 0.86 FFAR4 (0.46) S1PR1THRATHRBFFAR4RXRA
SCHEMBL3884556 0.85 THRA (0.44) S1PR1THRATHRBFFAR4TP53
SCHEMBL3882968 0.85 THRA (0.46) S1PR1THRATHRBFFAR4XDH
SCHEMBL3882141 0.83 S1PR1 (0.45) S1PR1FFAR4ARCCNCCDK8
SCHEMBL3686723 0.83 FFAR4 (0.53) FFAR4ARTP53MDM2FFAR1

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 S1PR1 77/4885THRA 1720/4885THRB 3187/4885

“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.