SCHEMBL765780

SCHEMBL765780

COC(=O)C(F)(F)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
CTRB1 P17538 1/20 0.39
ALDH1A1 P00352 2/20 0.35
KCNN4 O15554 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MLYCD O95822 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL7488958 0.84
SCHEMBL11216608 0.84 CTRB1 (0.39) DGAT1CTRB1ALDH1A1KCNN4SMN1; SMN2
SCHEMBL21375478 0.84 CTRB1 (0.39) DGAT1CTRB1ALDH1A1KCNN4SMN1; SMN2
SCHEMBL17067292 0.81 CTRB1 (0.40) DGAT1CTRB1ALDH1A1KCNN4SMN1; SMN2
SCHEMBL12886375 0.80 CTRB1 (0.37) DGAT1CTRB1ALDH1A1KCNN4SMN1; SMN2
SCHEMBL12869242 0.80 CTRB1 (0.37) DGAT1CTRB1ALDH1A1KCNN4SMN1; SMN2
SCHEMBL898549 0.79 PKM (0.40) DGAT1CTRB1ALDH1A1KCNN4
SCHEMBL892052 0.78 CTRB1 (0.36) DGAT1CTRB1ALDH1A1SMN1; SMN2
SCHEMBL10601712 0.77 CTRB1 (0.38) DGAT1CTRB1ALDH1A1KCNN4
Methyl Alcohol SCHEMBL28769040 0.77 PKM (0.39) DGAT1CTRB1ALDH1A1KCNN4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022261559-A2 ANTIFOULING MATERIALS, COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2022-12-15 WO disclosed
US-11178871-B2 Herbicidal pyrimidine compounds BASF SE (DE) 2021-11-23 US disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
EP-3490985-B1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2020-08-05 EP disclosed
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2019-05-30 US disclosed
EP-2170975-B1 COMPOSITIONS AND METHODS FOR PRODUCING CELLULAR LABELS FOR NUCLEAR MAGNETIC RESONANCE TECHNIQUES UNIV CARNEGIE MELLON (US) 2018-05-02 EP 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
EP-1954668-B1 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-09-28 EP 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-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US 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 (10 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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 DGAT1 4701/4885CTRB1 95/4885ALDH1A1 63/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 DGAT1 101/4885CTRB1 10/4885ALDH1A1 2353/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 DGAT1 579/4885CTRB1 1720/4885ALDH1A1 1706/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 DGAT1 494/4885CTRB1 1787/4885ALDH1A1 1577/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 DGAT1 101/4885CTRB1 10/4885ALDH1A1 2353/4885
US-11178871-B2 Herbicidal pyrimidine compounds DPYD, TYMP, TYMS DGAT1 997/4885CTRB1 2490/4885ALDH1A1 241/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 DGAT1 101/4885CTRB1 10/4885ALDH1A1 2353/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 DGAT1 579/4885CTRB1 1720/4885ALDH1A1 1706/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 DGAT1 4186/4885CTRB1 198/4885ALDH1A1 86/4885
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, TYMS DGAT1 997/4885CTRB1 2490/4885ALDH1A1 241/4885

“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.