SCHEMBL977323

SCHEMBL977323

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.54
ALDH1A1 P00352 4/20 0.49
PPARG P37231 1/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
OPRD1 P41143 1/20 0.46
MAPK14 Q16539 2/20 0.45
SMO Q99835 2/20 0.45
PKM P14618 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL975702 0.89 PARP10 (0.50) PARP10ALDH1A1PPARGNPC1SMN1; SMN2
SCHEMBL978274 0.89 PARP10 (0.50) PARP10ALDH1A1PPARGNPC1SMN1; SMN2
SCHEMBL3648379 0.89 PARP10 (0.66) PARP10ALDH1A1PPARGNPC1SMN1; SMN2
SCHEMBL2246369 0.85 PARP10 (0.50) PARP10ALDH1A1PPARGNPC1SMN1; SMN2
SCHEMBL976403 0.85 PARP10 (0.60) PARP10ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL978000 0.85 PARP10 (0.52) PARP10ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL974397 0.84 PARP10 (0.54) PARP10ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL975145 0.84 PARP10 (0.54) PARP10ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL977223 0.84 PARP10 (0.51) PARP10ALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL977023 0.84 MAOB (0.53) PARP10ALDH1A1PPARGSMN1; SMN2MAPT

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 6 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
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
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 567/4885ALDH1A1 292/4885PPARG 370/4885

“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.