SCHEMBL10101726

SCHEMBL10101726

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 9/20 0.41
PPARA Q07869 8/20 0.41
MAOB P27338 1/20 0.39
GFER P55789 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL10102038 0.89 SMN1; SMN2 (0.51) S1PR1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10102036 0.89 NPC1 (0.50) S1PR1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10101741 0.89 S1PR1 (0.48) S1PR1L3MBTL1GAAPOLBMAPT
SCHEMBL10101735 0.88 S1PR1 (0.50) S1PR1L3MBTL1GAAPOLBMAPT
SCHEMBL10102085 0.85 NPC1 (0.64) S1PR1L3MBTL1GAAPOLBMAPT
SCHEMBL10102022 0.85 HPGD (0.45) S1PR1L3MBTL1GAAMAPTNPC1
SCHEMBL10106877 0.85 GAA (0.46) S1PR1L3MBTL1GAAPOLBMAPT
SCHEMBL10101746 0.85 S1PR1 (0.43) S1PR1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10101740 0.85 NPC1 (0.48) L3MBTL1NPC1RAB9ASMN1; SMN2PPARG
SCHEMBL10101733 0.85 S1PR1 (0.60) S1PR1L3MBTL1GAAPOLBMAPT

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 4843/4885GAA 2110/4885

“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.