SCHEMBL975145

SCHEMBL975145

COC(=O)c1ccc(C2(c3ccc(OCc4ccccn4)cc3)CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.54
ALOX5AP P20292 3/20 0.50
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 2/20 0.46
MAPK14 Q16539 4/20 0.45
SMO Q99835 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 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
SCHEMBL978458 0.99 PARP10 (0.53) PARP10ALOX5APMAPTKDM4EPOLB
SCHEMBL974397 0.98 PARP10 (0.54) PARP10ALOX5APMAPTKDM4EPOLB
SCHEMBL978000 0.91 PARP10 (0.52) PARP10ALOX5APMAPTKDM4EPOLB
SCHEMBL977223 0.90 PARP10 (0.51) PARP10ALOX5APMAPTKDM4EPOLB
SCHEMBL975604 0.88 PARP10 (0.53) PARP10POLBMAPK14SMOMEN1
SCHEMBL977042 0.87 PARP10 (0.57) PARP10ALOX5APKDM4EMAPK14SMO
SCHEMBL977351 0.87 PARP10 (0.52) PARP10POLBMAPK14SMOMEN1
SCHEMBL30320388 0.87 PARP10 (0.69) PARP10MAPTKDM4EPOLBRAB9A
SCHEMBL1732629 0.87 PARP10 (0.69) PARP10MAPTKDM4EPOLBRAB9A
SCHEMBL976551 0.86 PARP10 (0.56) PARP10ALOX5APKDM4EMAPK14SMO

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 567/4885ALOX5AP 47/4885MAPT 4778/4885

“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.