SCHEMBL8301284

SCHEMBL8301284

C=CCC(Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
EPHX2 P34913 1/20 0.48
PPARA Q07869 4/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.45
MME P08473 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
GRIK1 P39086 3/20 0.42
GRIK2 Q13002 3/20 0.42
GRIK3 Q13003 1/20 0.42
CPA1 P15085 1/20 0.42
CPA3 P15088 1/20 0.42

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
SCHEMBL17497191 1.00 PPARG (0.48) PPARGEPHX2PPARACYP1A2KMT2A
SCHEMBL9007628 0.84 CYP1A2 (0.68) CYP1A2MMECPA1CPA3
SCHEMBL629350 0.84 CYP1A2 (0.68) CYP1A2MMECPA1CPA3
SCHEMBL252900 0.84 CYP1A2 (0.68) CYP1A2MMECPA1CPA3
SCHEMBL4663230 0.84 CYP1A2 (0.65) PPARGEPHX2PPARACYP1A2KMT2A
SCHEMBL6005266 0.83 KMO (0.48) PPARGPPARACYP1A2KMT2AGRIK1
SCHEMBL6005075 0.83 KMO (0.48) PPARGPPARACYP1A2KMT2AGRIK1
SCHEMBL5887996 0.81 PPARG (0.49) PPARGEPHX2PPARACYP1A2KMT2A
SCHEMBL5887992 0.81 PPARG (0.49) PPARGEPHX2PPARACYP1A2KMT2A
SCHEMBL14041569 0.80 SLC6A2 (0.42) PPARGEPHX2PPARAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046590-A1 SONIC HEDGEHOG MODULATORS MASSACHUSETTS INST TECHNOLOGY (US) 2016-02-18 US disclosed
US-5965562-A TREATING DISORDERS INDUCED BY SUBSTANCE P AND MIGRAINE HEADACHE NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0707006-B1 Aroyl-piperidine derivatives NOVARTIS AG (CH) 1999-04-07 EP disclosed
EP-0707006-A1 Aroyl-piperidine derivatives CIBA-GEIGY AG (CH) 1996-04-17 EP 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-20160046590-A1 SONIC HEDGEHOG MODULATORS SHH, GLI1, SMO PPARG 1902/4885EPHX2 1721/4885PPARA 2450/4885

“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.