SCHEMBL7522855

SCHEMBL7522855

CC(C)CC[C@@H](O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.43
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7522606 1.00 CETP (0.43) CETPPKMALDH1A1LMNAHTT
SCHEMBL7532833 1.00 CETP (0.43) CETPPKMALDH1A1LMNAHTT
SCHEMBL6230212 0.85 CETP (0.56) CETPPKMLMNAHTTKMT2A
SCHEMBL7531864 0.84 LMNA (0.42) CETPPKMLMNAKMT2A
SCHEMBL7527645 0.84 LMNA (0.42) CETPPKMLMNAKMT2A
SCHEMBL7527642 0.84 LMNA (0.42) CETPPKMLMNAKMT2A
SCHEMBL7531868 0.84 LMNA (0.42) CETPPKMLMNAKMT2A
SCHEMBL18471527 0.81 TSHR (0.32) CETPALDH1A1
SCHEMBL1492602 0.74 CETP (0.46) CETPPKMALDH1A1LMNAHTT
SCHEMBL4547683 0.74 TSHR (0.48) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10195004-A None JP disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8304403-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-7888376-B2 Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
EP-0937765-B1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2002-05-29 EP disclosed
EP-0842915-B1 Optically active alcohol and process for the production thereof MITSUBISHI GAS CHEMICAL CO (JP) 2002-03-27 EP disclosed
EP-0853076-B1 Liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2001-09-12 EP disclosed
US-6128065-A 2 OR 3-FLUORO SUBSTITUTED OR UNSUBSTITUTED 4-(1-TRIFLUOROMETHYL-4-METHYL-PENTYL OR HEXYLOXYCARBONYL)PHENYL-4'-N-ALKYLBIPHENYL-4-CARBOXYLATE CONTAINING ASYMMETRIC CARBON ATOM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-10-03 US disclosed
US-6002042-A Liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-12-14 US disclosed
EP-0937765-A1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-08-25 EP disclosed
JP-H10195004-A OPTICALLY ACTIVE ALCOHOL AND ITS PRODUCTION MITSUBISHI GAS CHEM CO INC 1998-07-28 JP disclosed
EP-0853076-A1 Liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-07-15 EP disclosed
EP-0842915-A2 Optically active alcohol and process for the production thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-05-20 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 (4 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885PKM 2591/4885ALDH1A1 2353/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885PKM 2591/4885ALDH1A1 2353/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885PKM 2591/4885ALDH1A1 2353/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CETP 1/4885PKM 2591/4885ALDH1A1 2353/4885

“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.