SCHEMBL8962465

SCHEMBL8962465

CC(C)(C)C(=O)OCC(C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ELANE P08246 3/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
BTN3A1 O00481 2/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL25667341 0.79 CYP4F2 (0.36) CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL12561094 0.79 PRKCA (0.43) PRKCAPOLBGAANPSR1ELANE
SCHEMBL733594 0.79 PRKCA (0.43) PRKCAPOLBGAANPSR1ELANE
SCHEMBL5445288 0.79 PRKCA (0.43) PRKCAPOLBGAANPSR1ELANE
SCHEMBL15891838 0.79 PRKCA (0.43) PRKCAPOLBGAANPSR1ELANE
SCHEMBL9293784 0.77 PRKCA (0.42) PRKCAPOLBGAANPSR1ELANE
SCHEMBL9293781 0.77 PRKCA (0.42) PRKCAPOLBGAANPSR1ELANE
SCHEMBL21015986 0.77 ALDH1A1 (0.43) GAALMNAHSD17B10ALDH1A1
Hydrogen Peroxide SCHEMBL28451976 0.77 PRKCA (0.42) PRKCAPOLBGAANPSR1ELANE
SCHEMBL22697443 0.76 POLB (0.35) PRKCAPOLBGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153861-A1 METHOD OF TREATING ATHEROSCLEROSIS IN HIGH TRIGLYCERIDE SUBJECTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-06-07 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-20140134262-A1 METHOD OF TREATING ATHEROSCLEROSIS IN HIGH TRIGLYCERIDE SUBJECTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2014-05-15 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 (6 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCA 25/4885POLB 1396/4885GAA 765/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCA 25/4885POLB 1396/4885GAA 765/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCA 25/4885POLB 1396/4885GAA 765/4885
US-20140134262-A1 METHOD OF TREATING ATHEROSCLEROSIS IN HIGH TRIGLYCERIDE SUBJECTS CETP, MTTP, APOB PRKCA 798/4885POLB 2848/4885GAA 624/4885
US-20180153861-A1 METHOD OF TREATING ATHEROSCLEROSIS IN HIGH TRIGLYCERIDE SUBJECTS CETP, MTTP, APOB PRKCA 712/4885POLB 3082/4885GAA 716/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PRKCA 25/4885POLB 1396/4885GAA 765/4885

“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.