SCHEMBL975702

SCHEMBL975702

CCOC(=O)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CC(F)(F)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
ALDH1A1 P00352 4/20 0.46
PPARG P37231 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALOX5AP P20292 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK14 Q16539 2/20 0.42
SMO Q99835 2/20 0.42
PKM P14618 1/20 0.41
PAX8 Q06710 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
SCHEMBL977323 0.89 PARP10 (0.54) PARP10ALDH1A1PPARGNPC1RAB9A
SCHEMBL975761 0.86 PARP10 (0.55) PARP10ALDH1A1SMN1; SMN2HPGDALOX5AP
SCHEMBL3648379 0.86 PARP10 (0.66) PARP10ALDH1A1PPARGNPC1RAB9A
SCHEMBL978274 0.86 PARP10 (0.50) PARP10ALDH1A1PPARGNPC1RAB9A
SCHEMBL975370 0.85 LMNA (0.51) PARP10ALDH1A1PPARGSMN1; SMN2MAPT
SCHEMBL977223 0.80 PARP10 (0.51) PARP10ALDH1A1RAB9ASMN1; SMN2ALOX5AP
SCHEMBL12948099 0.80 KCNH2 (0.49) ALDH1A1TSHRSMN1; SMN2MAPK1MAPT
SCHEMBL2245978 0.79 PARP10 (0.54) PARP10ALDH1A1PPARGNPC1RAB9A
SCHEMBL5199396 0.79 MAOB (0.56) PARP10ALDH1A1PPARGNPC1RAB9A
SCHEMBL976735 0.79 ESR1 (0.64) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2

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
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.