SCHEMBL517552

SCHEMBL517552

CC(C)(C)OC(=O)C(C)(C)CCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
DGAT1 O75907 1/20 0.38
FDPS P14324 2/20 0.35
PAOX Q6QHF9 3/20 0.34
ACLY P53396 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
CPB2 Q96IY4 1/20 0.32
CYP1A2 P05177 1/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLG P00747 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL22016458 0.87 CYP4F2 (0.52) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL20168199 0.85 DGAT1 (0.46) CYP4F2CYP4A11DGAT1MEN1KMT2A
SCHEMBL29874049 0.84 DGAT1 (0.38) CYP4F2CYP4A11DGAT1FDPSPAOX
SCHEMBL15319364 0.84 DGAT1 (0.38) CYP4F2CYP4A11DGAT1FDPSPAOX
SCHEMBL7802855 0.82 DGAT1 (0.36) CYP4F2CYP4A11DGAT1FDPSPAOX
SCHEMBL15415012 0.82 DGAT1 (0.36) CYP4F2CYP4A11DGAT1FDPSPAOX
SCHEMBL17756699 0.82 CYP4F2 (0.47) CYP4F2CYP4A11DGAT1FDPSMEN1
SCHEMBL17746739 0.82 CYP4F2 (0.61) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL8987148 0.82 CYP4F2 (0.43) CYP4F2CYP4A11DGAT1FDPSPAOX
SCHEMBL20496960 0.81 PAOX (0.36) CYP4F2CYP4A11DGAT1FDPSPAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406215-B1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2014-04-16 EP disclosed
US-8642592-B2 Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8642592-B2 Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8642592-B2 Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
EP-2406215-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-01-18 EP disclosed
WO-2010102717-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-16 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-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF AADAC, OTC, HCAR2 CYP4F2 142/4885CYP4A11 78/4885DGAT1 415/4885

“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.