SCHEMBL3884852

SCHEMBL3884852

O=C(O)CCc1ccc(OCC2CCCC2)c(-c2cnc3ccccc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
PTGER1 P34995 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
S1PR1 P21453 1/20 0.42
FFAR4 Q5NUL3 7/20 0.42
C5AR1 P21730 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
FFAR1 O14842 2/20 0.39
RHOA P61586 1/20 0.39
XDH P47989 1/20 0.39
MAP4K4 O95819 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3882712 0.99 THRA (0.47) THRATHRBPTGER1PTGDR2S1PR1
SCHEMBL3883663 0.90 C5AR1 (0.44) PTGER1PTGDR2C5AR1MEN1KMT2A
SCHEMBL3880639 0.89 C5AR1 (0.45) PTGER1PTGDR2C5AR1MEN1KMT2A
SCHEMBL3884621 0.87 FFAR4 (0.48) THRATHRBPTGDR2S1PR1FFAR4
SCHEMBL3882883 0.87 THRA (0.47) THRATHRBS1PR1FFAR4C5AR1
SCHEMBL3881977 0.86 FFAR4 (0.48) THRATHRBPTGDR2S1PR1FFAR4
SCHEMBL3883274 0.86 FFAR4 (0.55) THRATHRBPTGER1S1PR1FFAR4
SCHEMBL7725119 0.86 THRA (0.52) THRATHRBPTGER1PTGDR2S1PR1
SCHEMBL3888439 0.85 FFAR4 (0.54) THRATHRBPTGER1S1PR1FFAR4
SCHEMBL1013811 0.85 THRA (0.54) THRATHRBPTGER1PTGDR2S1PR1

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 3187/4885PTGER1 1/4885

“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.