SCHEMBL2866038

SCHEMBL2866038

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1535989 0.79 MAPK1 (0.34) MAPK1HSD17B10TSHRNPC1RAB9A
SCHEMBL12431439 0.79 TSHR (0.38) MAPK1HSD17B10TSHRNPC1RAB9A
SCHEMBL1535991 0.79 MAPK1 (0.34) MAPK1HSD17B10TSHRNPC1RAB9A
SCHEMBL11784062 0.79 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL25713185 0.77 MAPK1 (0.33) MAPK1HSD17B10TSHRNPC1RAB9A
SCHEMBL13433278 0.77
SCHEMBL9005349 0.77 MAPK1 (0.33) MAPK1HSD17B10TSHRNPC1RAB9A
SCHEMBL16850495 0.77 MAPK1 (0.33) MAPK1HSD17B10TSHRNPC1RAB9A
SCHEMBL16337476 0.75 TSHR (0.36) MAPK1HSD17B10TSHRNPC1RAB9A
SCHEMBL13725736 0.73 TSHR (0.38) MAPK1HSD17B10TSHRNPC1RAB9A

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 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant MERCK SHARP & DOHME LLC (US) 2023-07-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
CN-111822236-B Adhesive coating device and manufacturing method of planar capacitor 深圳市峰泳科技有限公司 2021-09-21 CN disclosed
CN-111822236-A Adhesive coating device and manufacturing method of planar capacitor 深圳市峰泳科技有限公司 2020-10-27 CN disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed
EP-1900715-A1 FLUORENE DERIVATIVE, TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2008-03-19 EP disclosed
US-20070031339-A1 Contrast agents GE HEALTHCARE AS (NO) 2007-02-08 US disclosed
US-4863642-A CARBOXYLATION, ACID ACTALYSTS BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
EP-0070463-B1 PROCESS FOR THE PREPARATION OF ACID HALIDES BAYER AG (DE) 1985-01-09 EP disclosed
EP-0073301-B1 PROCESS FOR THE PREPARATION OF ALPHA, BETA AND BETA, GAMMA UNSATURATED KETONES FIRMENICH SA (CH) 1984-11-21 EP disclosed
US-4453011-A BASIFICATION OF A DIALLYL CARBINOL FIRMENICH SA (CH) 1984-06-05 US disclosed
EP-0073301-A1 Process for the preparation of alpha, beta and beta, gamma unsaturated ketones FIRMENICH SA (CH) 1983-03-09 EP disclosed
EP-0070463-A1 Process for the preparation of acid halides BAYER AG (DE) 1983-01-26 EP 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-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK9, CDK1 MAPK1 235/4885HSD17B10 2104/4885TSHR 2843/4885
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS MAPK1 1129/4885HSD17B10 3787/4885TSHR 4752/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 MAPK1 2346/4885HSD17B10 622/4885TSHR 4635/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS MAPK1 1129/4885HSD17B10 3787/4885TSHR 4752/4885
US-20070031339-A1 Contrast agents TSG101, PRTN3, KATNAL2 MAPK1 1747/4885HSD17B10 4845/4885TSHR 1407/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPK1 4884/4885HSD17B10 223/4885TSHR 2837/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS MAPK1 316/4885HSD17B10 4594/4885TSHR 2616/4885
US-11697657-B2 Small molecule inhibitors of KRAS G12C mutant KRAS, NRAS, HRAS MAPK1 279/4885HSD17B10 4692/4885TSHR 2965/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS MAPK1 1129/4885HSD17B10 3787/4885TSHR 4752/4885

“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.