SCHEMBL17009104

SCHEMBL17009104

CCOC(=O)C(C)(C)Oc1ccc(CCCC(=O)C(C)(C)C(=O)OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.53
ABCB11 O95342 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
HTR2A P28223 1/20 0.53
PMP22 Q01453 1/20 0.53
PPARG P37231 6/20 0.49
FBP1 P09467 3/20 0.45
ALOX5 P09917 1/20 0.41
OPRK1 P41145 1/20 0.41
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14517130 0.86 PPARA (0.57) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL17009120 0.86 PPARA (0.49) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL17009152 0.84 PPARA (0.46) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4111625 0.84 PPARA (0.59) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL17009106 0.83 PPARA (0.53) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14290524 0.83 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4117710 0.83 PPARA (0.62) PPARAABCB11CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL4117714 0.83 PPARA (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL17009142 0.82 ALOX5 (0.56) CYP1A2CYP3A4ALOX5KMT2A
SCHEMBL14517146 0.82 PPARA (0.54) PPARAABCB11CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079745-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF INCEPTION SCIENCES, INC. 2018-03-22 US disclosed
US-9862708-B2 Pyrazolone compounds and uses thereof TEMPEST THERAPEUTICS, INC. (US) 2018-01-09 US disclosed
US-20170174666-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2017-06-22 US disclosed
EP-3105205-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF Inception 2, Inc. (US) 2016-12-21 EP disclosed
WO-2015123133-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2, INC. (US) 2015-08-20 WO 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 (2 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-20170174666-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARG, PPARD PPARA 1/4885ABCB11 1296/4885CYP1A2 472/4885
US-20180079745-A1 PYRAZOLONE COMPOUNDS AND USES THEREOF PPARA, PPARG, PPARD PPARA 1/4885ABCB11 1117/4885CYP1A2 381/4885

“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.