SCHEMBL3886413

SCHEMBL3886413

CCC(CC)COc1ccc(CCC(=O)O)cc1-c1ccc2c(cnn2CC)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
TP53 P04637 5/20 0.41
MDM2 Q00987 5/20 0.41
CACNA1H O95180 3/20 0.39
FFAR4 Q5NUL3 5/20 0.38
NR1H2 P55055 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NR1H3 Q13133 1/20 0.38
KMO O15229 1/20 0.37
S1PR1 P21453 3/20 0.36
BCL2L1 Q07817 1/20 0.36
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35

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
SCHEMBL3884144 0.92 S1PR1 (0.44) TP53MDM2CACNA1HFFAR4KMO
SCHEMBL3888350 0.91 THRA (0.44) THRATHRBTP53MDM2CACNA1H
SCHEMBL3883493 0.87 NR1H2 (0.43) TP53MDM2CACNA1HFFAR4NR1H2
SCHEMBL3882459 0.85 FFAR4 (0.48) THRATHRBTP53MDM2FFAR4
SCHEMBL27627142 0.85 TP53 (0.50) TP53MDM2FFAR4NR1H2PPARD
SCHEMBL3881254 0.85 TP53 (0.51) TP53MDM2CACNA1HFFAR4NR1H2
SCHEMBL3884123 0.85 TP53 (0.49) TP53MDM2CACNA1HFFAR4
SCHEMBL3882304 0.85 TP53 (0.44) THRATHRBTP53MDM2FFAR4
SCHEMBL3881517 0.85 TP53 (0.46) TP53MDM2FFAR4KMO
SCHEMBL3882779 0.83 S1PR1 (0.43) THRATHRBTP53MDM2CACNA1H

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 11 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
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN 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
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 CN disclosed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 CN 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 3187/4885TP53 4018/4885

“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.