SCHEMBL10101803

SCHEMBL10101803

C/C(=N\OCc1cccc(C)c1)c1ccc(C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAOB P27338 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
PPARG P37231 9/20 0.42
PPARA Q07869 8/20 0.42
IDO1 P14902 2/20 0.41
S1PR1 P21453 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
PTBP1 P26599 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10102301 0.90 RAB9A (0.47) NPC1RAB9AMAOBMRGPRX4PPARG
SCHEMBL10101794 0.88 S1PR1 (0.46) NPC1RAB9AMAOBMRGPRX4PPARG
SCHEMBL10101740 0.86 NPC1 (0.48) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL10101798 0.85 S1PR1 (0.47) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL10102289 0.84 RAB9A (0.46) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL10101746 0.81 S1PR1 (0.43) NPC1RAB9AMAOBMRGPRX4PPARG
SCHEMBL10102011 0.79 NPC1 (0.46) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL9987214 0.78 NPC1 (0.51) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL10106910 0.78 NPC1 (0.46) NPC1RAB9AMAOBPPARGPPARA
SCHEMBL10102291 0.77 S1PR1 (0.37) NPC1RAB9APPARGPPARAS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 NPC1 357/4885RAB9A 3908/4885MAOB 2633/4885

“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.