SCHEMBL14975904

SCHEMBL14975904

CC(C)(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.70
▸ CYP1A2 P05177 5/20 0.70
▸ CYP3A4 P08684 5/20 0.70
▸ CYP2C19 P33261 4/20 0.70
▸ MAPT P10636 4/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ CYP2D6 P10635 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ PPARG P37231 4/20 0.60
▸ TSHR P16473 3/20 0.60
▸ ABCB11 O95342 2/20 0.60
▸ HTR2A P28223 2/20 0.60
▸ PMP22 Q01453 2/20 0.60
▸ FABP2 P12104 2/20 0.60
▸ SLC22A12 Q96S37 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ LMNA P02545 2/20 0.53

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
SCHEMBL16577214 0.92 PPARA (0.74) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL11800181 0.83 PPARA (0.58) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL9372364 0.82 PPARA (0.72) PPARACYP1A2CYP3A4CYP2C19MAPT
Clofibric Acid SCHEMBL102826 0.82 PPARA (1.00) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL135713 0.82 PPARA (0.72) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL10867374 0.82 PPARA (0.72) PPARACYP1A2CYP3A4CYP2C19MAPT
Clofibric Acid SCHEMBL2227936 0.82 PPARA (1.00) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL9590308 0.81 PPARA (0.70) PPARACYP1A2CYP3A4CYP2C19MAPT
Clofibric Acid SCHEMBL10634899 0.81 PPARA (0.96) PPARACYP1A2CYP3A4CYP2C19MAPT
SCHEMBL11643674 0.81 PPARA (0.70) PPARACYP1A2CYP3A4CYP2C19MAPT

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
US-9403857-B2 Compositions and methods for the treatment of metabolic syndrome CELLIX BIO PRIVATE LIMITED (IN) 2016-08-02 — — US disclosed
US-9198429-B2 Heterocyclic alkanol-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 — — US disclosed
US-9198429-B2 Heterocyclic alkanol-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 — — US disclosed
US-9198429-B2 Heterocyclic alkanol-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 — — US disclosed
US-20150080345-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2015-03-19 — — US disclosed
EP-2782904-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES Bayer Intellectual Property GmbH (DE) 2014-10-01 — — EP disclosed
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLCTUAL PROPERTY GMBH (DE) 2014-09-18 — — US disclosed
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLCTUAL PROPERTY GMBH (DE) 2014-09-18 — — US disclosed
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLCTUAL PROPERTY GMBH (DE) 2014-09-18 — — US disclosed
WO-2013076227-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-30 — — WO disclosed
WO-2013076227-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-30 — — 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-20150080345-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC SYNDROME FABP4, GYS2, FABP2 PPARA 1082/4885CYP1A2 169/4885CYP3A4 276/4885
US-20140274952-A1 NOVEL HETEROCYCLIC ALKANOL-DERIVATIVES ERG28, CBR3, MYB PPARA 456/4885CYP1A2 502/4885CYP3A4 1010/4885

“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.

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