SCHEMBL3280880

SCHEMBL3280880

CC(CO)(CCCCBr)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 1/20 0.33
RIPK1 Q13546 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 2/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3280082 0.98 CYP2C19 (0.42) CYP2C19HIF1ASIGMAR1LMNAALDH1A1
SCHEMBL3283775 0.95 CYP2C19 (0.44) CYP2C19HIF1ASIGMAR1LMNAALDH1A1
SCHEMBL3279326 0.84 NPC1 (0.38) LMNAESR1ESR2SMN1; SMN2KIF11
Methyl Alcohol SCHEMBL7146950 0.83 NPC1 (0.37) LMNAKIF11MAPTKMT2A
SCHEMBL6387815 0.82 KIF11 (0.48) CYP2C19HIF1ASIGMAR1TAAR1CYP3A4
SCHEMBL5528998 0.81 CYP2C19 (0.42) CYP2C19HIF1ASIGMAR1LMNAALDH1A1
SCHEMBL6256464 0.81 CYP2C19 (0.42) CYP2C19HIF1ASIGMAR1LMNAALDH1A1
SCHEMBL6395471 0.81 KIF11 (0.47) CYP2C19HIF1ASIGMAR1TAAR1CYP3A4
SCHEMBL6387762 0.80 KIF11 (0.55) CYP2C19HIF1ATAAR1CYP3A4SMN1; SMN2
SCHEMBL6353040 0.79 CYP2C19 (0.41) CYP2C19HIF1ASIGMAR1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975300-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2015-03-10 US disclosed
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2014-08-14 US disclosed
US-8642653-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2014-02-04 US disclosed
US-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2012-05-24 US disclosed
US-8084498-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2011-12-27 US disclosed
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. 2010-06-03 US disclosed
US-7705177-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPUETICS, INC. (US) 2010-04-27 US disclosed
US-7304093-B2 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2007-07-05 US disclosed
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES DASSEUX JEAN-LOUIS H 2007-06-28 US disclosed
EP-1701931-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics, Inc. (US) 2006-09-20 EP disclosed
US-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-09-01 US disclosed
WO-2005068420-A1 UREA AND THIOUREA COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
WO-2005068412-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-10-07 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 (7 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-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses PNLIP, FABP2, GPR119 CYP2C19 1162/4885HIF1A 3981/4885SIGMAR1 117/4885
US-20120129930-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, CETP CYP2C19 431/4885HIF1A 776/4885SIGMAR1 2375/4885
US-20070155704-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 CYP2C19 485/4885HIF1A 927/4885SIGMAR1 2505/4885
US-20040198814-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 CYP2C19 485/4885HIF1A 927/4885SIGMAR1 2505/4885
US-20140228439-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP2C19 485/4885HIF1A 927/4885SIGMAR1 2505/4885
US-20070149615-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP2C19 485/4885HIF1A 927/4885SIGMAR1 2505/4885
US-20100137444-A1 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES PC, HMGCR, GPR119 CYP2C19 485/4885HIF1A 927/4885SIGMAR1 2505/4885

“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.