SCHEMBL518315

SCHEMBL518315

CCOC(=O)C(C)CCCCN

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.59
CYP1A2 P05177 1/20 0.48
GSR P00390 1/20 0.41
CA1 P00915 2/20 0.39
RNPEP Q9H4A4 1/20 0.39
GABRR1 P24046 2/20 0.39
ALOX15 P16050 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL16125818 1.00 CPB2 (0.59) CPB2CYP1A2GSRCA1RNPEP
Hydrochloric Acid SCHEMBL4410997 0.96 CPB2 (0.60) CPB2CYP1A2GSRCA1RNPEP
Hydrochloric Acid SCHEMBL4334149 0.96 CPB2 (0.60) CPB2CYP1A2GSRCA1RNPEP
SCHEMBL9411898 0.94 CPB2 (0.51) CPB2CYP1A2CA1GABRR1ALOX15
Hydrochloric Acid SCHEMBL28252625 0.92 CPB2 (0.50) CPB2CYP1A2CA1GABRR1ALOX15
SCHEMBL7879761 0.85 GABRR1 (0.54) CPB2CYP1A2GABRR1ALOX15CYP3A4
SCHEMBL4639637 0.85 GABRR1 (0.54) CPB2CYP1A2GABRR1ALOX15CYP3A4
SCHEMBL28182020 0.85 ALDH1A1 (0.43) CPB2CA1ALOX15CYP3A4CYP2C19
SCHEMBL30360217 0.83 GABRR1 (0.52) CPB2CYP1A2GABRR1ALOX15CYP3A4
SCHEMBL16298859 0.83 CA1 (0.57) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751880-B2 Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, and imide compound CANON KABUSHIKI KAISHA (JP) 2017-09-05 US disclosed
US-20160115163-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, AND IMIDE COMPOUND CANON KABUSHIKI KAISHA (JP) 2016-04-28 US disclosed
EP-2406215-B1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2014-04-16 EP disclosed
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
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 (2 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-20160115163-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, AND IMIDE COMPOUND PPIE, PPIG, PPIA CPB2 834/4885CYP1A2 330/4885GSR 3304/4885
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF AADAC, OTC, HCAR2 CPB2 919/4885CYP1A2 214/4885GSR 280/4885

“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.