SCHEMBL976403

SCHEMBL976403

O=C(O)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.60
NR4A2 P43354 2/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SRD5A2 P31213 1/20 0.47
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.46
PLA2G4B P0C869 1/20 0.45
MAOB P27338 1/20 0.45
ALOX5 P09917 2/20 0.44
ALOX5AP P20292 1/20 0.44
MAPK14 Q16539 3/20 0.43
SMO Q99835 2/20 0.43
RXRA P19793 1/20 0.43
SYK P43405 1/20 0.43
AURKB Q96GD4 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
SCHEMBL975580 0.95 PARP10 (0.57) PARP10NR4A2GPBAR1NR4A1NR4A3
SCHEMBL977042 0.95 PARP10 (0.57) PARP10NR4A2GPBAR1NR4A1NR4A3
SCHEMBL976551 0.94 PARP10 (0.56) PARP10NR4A2GPBAR1NR4A1NR4A3
SCHEMBL975761 0.88 PARP10 (0.55) PARP10NR4A2GPBAR1NR4A1NR4A3
SCHEMBL2354790 0.88 PARP10 (0.75) PARP10NR4A2GPBAR1NR4A1NR4A3
SCHEMBL977095 0.87 PARP10 (0.54) PARP10NR4A2GPBAR1NR4A1NR4A3
Hydrochloric Acid SCHEMBL3643418 0.87 PARP10 (0.73) PARP10NR4A2GPBAR1NR4A1NR4A3
SCHEMBL977323 0.85 PARP10 (0.54) PARP10KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL977198 0.84 MAPK14 (0.56) PARP10ALDH1A1SMN1; SMN2HPGDMAPK14
SCHEMBL978000 0.83 PARP10 (0.52) PARP10KDM4EALDH1A1SMN1; SMN2PKM

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
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 US disclosed
US-20110003815-A1 DIPHENYL SUBSTITUTED CYCLOALKANES MERCK & CO., INC. 2011-01-06 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 (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 567/4885NR4A2 1474/4885GPBAR1 297/4885

“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.