SCHEMBL2017833

SCHEMBL2017833

COC(=O)C1CCC(=O)CC1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.32

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
SCHEMBL2509181 1.00 THRB (0.44) THRBALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL2509180 1.00 THRB (0.44) THRBALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL16522193 0.87 CHRM2 (0.39) THRBALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL21294835 0.85 THRB (0.42) THRBALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL16617840 0.85 THRB (0.42) THRBALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL21312252 0.85 THRB (0.42) THRBALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL16617853 0.85 THRB (0.42) THRBALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL20153574 0.84 MAPK1 (0.41) THRBALDH1A1CHRM2CHRM3
SCHEMBL18926524 0.84 MAPK1 (0.41) THRBALDH1A1CHRM2CHRM3
SCHEMBL18213529 0.84 MAPK1 (0.41) THRBALDH1A1CHRM2CHRM3

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-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
EP-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
EP-0238305-B1 4,4-BIS(4-HYDROXYPHENYL)CYCLOHEXANECARBOXYLIC ACID DERIVATIVES AND PROCESS FOR PREPARING SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed
US-4814488-A STARTING MATERIALS FOR POLYMERS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-03-21 US disclosed
US-4755616-A 4,4-bis(4-hydroxyphenyl)cyclohexanecarboxylic acid derivatives and process for preparing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-07-05 US disclosed
EP-0238305-A1 4,4-Bis(4-hydroxyphenyl)cyclohexanecarboxylic acid derivatives and process for preparing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-09-23 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 (3 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK THRB 2139/4885ALDH1A1 1614/4885TSHR 2833/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK THRB 2139/4885ALDH1A1 1614/4885TSHR 2833/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK THRB 2139/4885ALDH1A1 1614/4885TSHR 2833/4885

“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.