SCHEMBL10101798

SCHEMBL10101798

C/C(=N\OCc1ccc(C)cc1)c1ccc(C)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.42
PTBP1 P26599 1/20 0.42
PPARG P37231 4/20 0.42
PPARA Q07869 3/20 0.42
PPARD Q03181 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAOB P27338 1/20 0.38
CA12 O43570 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
SCHEMBL10101794 0.92 S1PR1 (0.46) S1PR1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10102289 0.88 RAB9A (0.46) S1PR1L3MBTL1POLBNPC1RAB9A
SCHEMBL10101811 0.88 S1PR1 (0.46) S1PR1L3MBTL1POLBGAAMAPT
SCHEMBL10101735 0.87 S1PR1 (0.50) S1PR1L3MBTL1POLBGAAMAPT
SCHEMBL10101803 0.85 NPC1 (0.47) S1PR1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10101726 0.84 S1PR1 (0.48) S1PR1L3MBTL1POLBGAAMAPT
SCHEMBL10102298 0.84 SMN1; SMN2 (0.47) S1PR1POLBGAAMAPTNPC1
SCHEMBL10101746 0.84 S1PR1 (0.43) S1PR1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10101733 0.83 S1PR1 (0.60) S1PR1L3MBTL1POLBGAAMAPT
SCHEMBL10102301 0.83 RAB9A (0.47) S1PR1NPC1RAB9ASMN1; SMN2LMNA

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 S1PR1 909/4885L3MBTL1 4843/4885POLB 4460/4885

“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.