SCHEMBL975686

SCHEMBL975686

CC1(C)CCC(c2ccc(OCc3ccccn3)cc2)(c2ccc(C(=O)NC3CC3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.48
MAPK14 Q16539 5/20 0.45
SMO Q99835 5/20 0.45
DRD4 P21917 1/20 0.45
EZH2 Q15910 1/20 0.45
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL977050 0.91 PARP10 (0.51) PARP10MAPK14SMODRD4HPGD
SCHEMBL976548 0.91 PARP10 (0.51) PARP10MAPK14SMODRD4HPGD
SCHEMBL975297 0.90 PARP10 (0.48) PARP10MAPK14SMODRD4HPGD
SCHEMBL974841 0.90 PARP10 (0.50) PARP10MAPK14SMODRD4MEN1
SCHEMBL977938 0.89 PARP10 (0.51) PARP10MAPK14SMOHPGDHSD17B10
SCHEMBL978000 0.86 PARP10 (0.52) PARP10MAPK14SMOMEN1KMT2A
SCHEMBL977750 0.85 MEN1 (0.51) PARP10MAPK14HPGDHSD17B10MEN1
SCHEMBL975447 0.81 PARP10 (0.53) PARP10MAPK14SMOHPGDHSD17B10
SCHEMBL975604 0.81 PARP10 (0.53) PARP10MAPK14SMOHPGDHSD17B10
SCHEMBL978564 0.80 PARP10 (0.50) PARP10MAPK14SMOHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
EP-2209761-A1 DIPHENYL SUBSTITUTED CYCLOALKANES Merck Sharp & Dohme Corp. (US) 2010-07-28 EP disclosed
WO-2009048547-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. (US) 2009-04-16 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-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES PTGIS, PTGS1, LTC4S PARP10 567/4885MAPK14 2934/4885SMO 2800/4885

“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.