SCHEMBL977223

SCHEMBL977223

COC(=O)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CCC(F)(F)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.51
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
ALOX5AP P20292 4/20 0.44
MAOB P27338 1/20 0.44
RAB9A P51151 1/20 0.43
MAPK14 Q16539 3/20 0.43
SMO Q99835 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADAMTS4 O75173 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 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
SCHEMBL978000 0.91 PARP10 (0.52) PARP10MAPTKDM4EPOLBALOX5AP
SCHEMBL974397 0.90 PARP10 (0.54) PARP10MAPTKDM4EPOLBALOX5AP
SCHEMBL975145 0.90 PARP10 (0.54) PARP10MAPTKDM4EPOLBALOX5AP
SCHEMBL978458 0.89 PARP10 (0.53) PARP10MAPTKDM4EPOLBALOX5AP
SCHEMBL978564 0.89 PARP10 (0.50) PARP10POLBMAOBMAPK14SMO
SCHEMBL975297 0.85 PARP10 (0.48) PARP10RAB9AMAPK14SMOMEN1
SCHEMBL30320388 0.84 PARP10 (0.69) PARP10MAPTKDM4EPOLBRAB9A
SCHEMBL1732629 0.84 PARP10 (0.69) PARP10MAPTKDM4EPOLBRAB9A
SCHEMBL977323 0.84 PARP10 (0.54) PARP10MAPTKDM4ERAB9AMAPK14
SCHEMBL976571 0.83 MAPK14 (0.51) PARP10POLBMAOBRAB9AMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 567/4885MAPT 4778/4885KDM4E 3639/4885

“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.