SCHEMBL3090307

SCHEMBL3090307

CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCc1ccncc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.52
▸ CYP1A2 P05177 5/20 0.52
▸ CYP3A4 P08684 5/20 0.52
▸ ABCB11 O95342 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ HTR2A P28223 2/20 0.52
▸ PMP22 Q01453 2/20 0.52
▸ CYP2C19 P33261 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ PPARG P37231 4/20 0.41
▸ FABP2 P12104 2/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ PPARD Q03181 3/20 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
SCHEMBL3091128 0.94 PPARA (0.50) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL3090302 0.79 PPARA (0.53) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL3091124 0.77 PPARA (0.50) PPARACYP1A2CYP3A4ABCB11TSHR
Etofibrate SCHEMBL3122 0.76 L3MBTL1 (0.55) PPARACYP1A2CYP3A4ABCB11TSHR
Etofibrate SCHEMBL29801484 0.76 L3MBTL1 (0.55) PPARACYP1A2CYP3A4ABCB11TSHR
Etofibrate SCHEMBL8168409 0.76 L3MBTL1 (0.55) PPARACYP1A2CYP3A4ABCB11TSHR
Etofibrate SCHEMBL1649349 0.75 L3MBTL1 (0.54) PPARACYP1A2CYP3A4ABCB11TSHR
Simfibrate SCHEMBL27667 0.74 PPARA (0.74) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11640865 0.73 PPARA (0.72) PPARACYP1A2CYP3A4ABCB11TSHR
SCHEMBL11641659 0.73 PPARA (0.72) PPARACYP1A2CYP3A4ABCB11TSHR

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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 — — US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 — — EP disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 — — EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 — — 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 (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-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT PPARA 124/4885CYP1A2 967/4885CYP3A4 905/4885

“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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