SCHEMBL765936

SCHEMBL765936

CCCc1cccc(OCC(=O)OC)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.61
PPARG P37231 2/20 0.61
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
PPARD Q03181 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
TLR7 Q9NYK1 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.47

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
SCHEMBL4683372 0.88 CYP4F2 (0.56) PPARAPPARGKMT2AALDH1A1MEN1
SCHEMBL10174538 0.88 SMN1; SMN2 (0.56) PPARAPPARGKMT2AALDH1A1MEN1
SCHEMBL8358622 0.85 PPARA (0.59) PPARAPPARGKMT2AALDH1A1MEN1
SCHEMBL8358608 0.85 FFAR1 (0.56) PPARAPPARGKMT2AALDH1A1MEN1
SCHEMBL29580665 0.85 CHRM2 (0.63) PPARAPPARGKMT2AALDH1A1MEN1
SCHEMBL3009106 0.85 CHRM2 (0.63) PPARAPPARGKMT2AALDH1A1MEN1
SCHEMBL8350904 0.85 PPARA (0.59) PPARAPPARGKMT2AALDH1A1MEN1
SCHEMBL5206825 0.84 KMT2A (0.54) PPARAPPARGKMT2AALDH1A1MEN1
SCHEMBL22703735 0.84 PPARA (0.61) PPARAPPARGALDH1A1CYP2D6
SCHEMBL8350949 0.84 PPARA (0.61) PPARAPPARGKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3682881-A1 COMPOUND HAVING CYCLIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-07-22 EP disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
EP-1951673-B1 HETEROCYCLIC CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-09-05 EP disclosed
EP-1954668-B9 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PPARA 827/4885PPARG 890/4885KMT2A 2236/4885

“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.