SCHEMBL976551

SCHEMBL976551

O=C(O)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.56
GPBAR1 Q8TDU6 1/20 0.47
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5 P09917 2/20 0.45
ALOX5AP P20292 3/20 0.44
SRD5A2 P31213 1/20 0.44
HPGD P15428 1/20 0.43
MAOB P27338 1/20 0.43
PKM P14618 1/20 0.43
PLA2G4B P0C869 1/20 0.42
RXRB P28702 1/20 0.42
MAPK14 Q16539 1/20 0.41
SMO Q99835 1/20 0.41

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
SCHEMBL977042 0.99 PARP10 (0.57) PARP10GPBAR1NR4A2NR4A1NR4A3
SCHEMBL975580 0.96 PARP10 (0.57) PARP10GPBAR1NR4A2NR4A1NR4A3
SCHEMBL976403 0.94 PARP10 (0.60) PARP10GPBAR1NR4A2NR4A1NR4A3
SCHEMBL978458 0.88 PARP10 (0.53) PARP10ADORA3KDM4EALDH1A1SMN1; SMN2
SCHEMBL975183 0.88 PARP10 (0.56) PARP10KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL977351 0.87 PARP10 (0.52) PARP10SMN1; SMN2HPGDMAPK14SMO
SCHEMBL975145 0.86 PARP10 (0.54) PARP10KDM4EALDH1A1SMN1; SMN2ALOX5AP
SCHEMBL975604 0.85 PARP10 (0.53) PARP10SMN1; SMN2HPGDMAPK14SMO
SCHEMBL975761 0.85 PARP10 (0.55) PARP10GPBAR1NR4A2NR4A1NR4A3
SCHEMBL974841 0.85 PARP10 (0.50) PARP10ALDH1A1SMN1; SMN2ALOX5MAPK14

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 567/4885GPBAR1 297/4885NR4A2 1474/4885

“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.