SCHEMBL3884078

SCHEMBL3884078

CCn1ncc2cc(-c3cc(CCC(=O)O)ccc3OCC3CCCCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
S1PR1 P21453 4/20 0.42
XDH P47989 3/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
FFAR4 Q5NUL3 4/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
GCGR P47871 1/20 0.36
CACNA1H O95180 2/20 0.36
C5AR1 P21730 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL3882779 0.99 S1PR1 (0.43) THRATHRBS1PR1XDHTP53
SCHEMBL3881852 0.90 THRA (0.45) THRATHRBS1PR1XDHTP53
SCHEMBL3883141 0.89 S1PR1 (0.44) THRATHRBS1PR1XDHTP53
SCHEMBL3882805 0.88 FFAR4 (0.44) THRATHRBS1PR1TP53MDM2
SCHEMBL3883936 0.88 FFAR4 (0.44) THRATHRBS1PR1TP53MDM2
SCHEMBL3882195 0.87 FFAR4 (0.45) THRATHRBS1PR1TP53MDM2
SCHEMBL3883493 0.84 NR1H2 (0.43) S1PR1TP53MDM2FFAR4RXRA
SCHEMBL3881653 0.83 THRA (0.43) THRATHRBS1PR1TP53MDM2
SCHEMBL3884144 0.83 S1PR1 (0.44) S1PR1TP53MDM2FFAR4S1PR3
SCHEMBL3886413 0.82 THRA (0.43) THRATHRBS1PR1TP53MDM2

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

“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.