SCHEMBL8962260

SCHEMBL8962260

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD11B1 P28845 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
SCHEMBL553054 0.75 HMGCR (0.36) HMGCRCHRM1TBXA2RADRA1AKMT2A
SCHEMBL23424122 0.75 HMGCR (0.36) HMGCRCHRM1TBXA2RADRA1AKMT2A
SCHEMBL14035572 0.74 HMGCR (0.38) HMGCRCHRM1TBXA2RADRA1AKMT2A
SCHEMBL12914952 0.73 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL12707470 0.73 ALDH1A1 (0.37) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL13543290 0.73 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1AKMT2A
SCHEMBL21499927 0.72
SCHEMBL8406316 0.71 KMT2A (0.33) HMGCRCHRM1TBXA2RADRA1AKMT2A
SCHEMBL12652754 0.71 TSHR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL11993633 0.71 KMT2A (0.33) HMGCRCHRM1TBXA2RADRA1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
US-9149475-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-10-06 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-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8377924-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 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-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 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 (9 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-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB HMGCR 1235/4885CHRM1 4360/4885TBXA2R 1669/4885
US-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HMGCR 1907/4885CHRM1 4731/4885TBXA2R 1420/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HMGCR 1907/4885CHRM1 4731/4885TBXA2R 1420/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HMGCR 1907/4885CHRM1 4731/4885TBXA2R 1420/4885
US-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 HMGCR 2777/4885CHRM1 4819/4885TBXA2R 4333/4885
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB HMGCR 1235/4885CHRM1 4360/4885TBXA2R 1669/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP HMGCR 1918/4885CHRM1 2151/4885TBXA2R 3182/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP HMGCR 1918/4885CHRM1 2151/4885TBXA2R 3182/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HMGCR 1907/4885CHRM1 4731/4885TBXA2R 1420/4885

“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.