SCHEMBL516843

SCHEMBL516843

CC(C)(C)OC(=O)C1(CCCCN)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
CPB2 Q96IY4 13/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
P4HB P07237 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PAOX Q6QHF9 1/20 0.31
DGAT1 O75907 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
SCHEMBL798199 0.89 CYP4F2 (0.60) CYP4F2CYP4A11P4HBTDP1DGAT1
SCHEMBL798227 0.89 CYP4F2 (0.60) CYP4F2CYP4A11P4HBTDP1DGAT1
SCHEMBL798441 0.89 CYP4F2 (0.60) CYP4F2CYP4A11P4HBTDP1DGAT1
SCHEMBL797984 0.89 CYP4F2 (0.60) CYP4F2CYP4A11P4HBTDP1DGAT1
SCHEMBL14892163 0.86 CYP4F2 (0.65) CYP4F2CYP4A11P4HBTDP1DGAT1
SCHEMBL1555946 0.84 CYP4F2 (0.52) CYP4F2CYP4A11P4HBTDP1DGAT1
SCHEMBL25996655 0.84 CYP4F2 (0.68) CYP4F2CYP4A11P4HBTDP1DGAT1
SCHEMBL18044818 0.83 CYP4F2 (0.43) CYP4F2CYP4A11TDP1DGAT1
SCHEMBL882841 0.83 CYP4F2 (0.52) CYP4F2CYP4A11P4HBTDP1
SCHEMBL186963 0.83 CYP4F2 (0.51) CYP4F2CYP4A11P4HBTDP1DGAT1

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
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 (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 78/4885CPB2 919/4885

“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.