SCHEMBL12754201

SCHEMBL12754201

CCn1cc(-c2ccc(C(C)(C)C)cc2)nc1/C=C/c1ccc(-c2ccc(OCCCC(=O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.43
ALB P02768 1/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
FABP3 P05413 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
DGAT1 O75907 1/20 0.38
FFAR1 O14842 1/20 0.38
PIN1 Q13526 1/20 0.38
AGER Q15109 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL1481361 0.93 PPARA (0.49) PPARAALBPPARGPPARDCASP3
SCHEMBL1481363 0.93 PPARA (0.49) PPARAALBPPARGPPARDCASP3
SCHEMBL1481717 0.91 PPARA (0.52) PPARAALBPPARGPPARDCASP3
SCHEMBL1481721 0.91 PPARA (0.52) PPARAALBPPARGPPARDCASP3
SCHEMBL1481600 0.90 CASP3 (0.50) PPARAALBRAB9APPARGPPARD
SCHEMBL1481604 0.90 CASP3 (0.50) PPARAALBRAB9APPARGPPARD
SCHEMBL1481817 0.89 AGER (0.49) PPARAALBPPARGPPARDFABP3
SCHEMBL1481819 0.89 AGER (0.49) PPARAALBPPARGPPARDFABP3
SCHEMBL12754209 0.89 RARB (0.47) PPARAALBPPARGPPARDCASP3
SCHEMBL1481325 0.88 MMP2 (0.50) PPARAALBPPARGPPARDCASP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ PPARA 2236/4885ALB 1690/4885POLB 4328/4885

“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.