SCHEMBL10101728

SCHEMBL10101728

CCC(=NOCc1ccc(C)cc1)c1ccc(C)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.39
GAA P10253 4/20 0.37
S1PR1 P21453 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAOB P27338 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
PPARD Q03181 1/20 0.34
PARP10 Q53GL7 1/20 0.34
SPHK2 Q9NRA0 2/20 0.34
SPHK1 Q9NYA1 2/20 0.34
AGXT P21549 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL10101968 0.84 SMN1; SMN2 (0.46) MAPTL3MBTL1GAAPOLBNPC1
SCHEMBL10101726 0.83 S1PR1 (0.48) MAPTL3MBTL1GAAS1PR1POLB
SCHEMBL10101730 0.78 MAPT (0.34) MAPTL3MBTL1NPSR1THRBGAA
SCHEMBL17233213 0.74 MAPT (0.49) MAPTL3MBTL1NPSR1THRBGAA
SCHEMBL10101775 0.74 MEN1 (0.40) L3MBTL1S1PR1PPARGPPARAPPARD
SCHEMBL10101776 0.74 MEN1 (0.40) L3MBTL1S1PR1PPARGPPARAPPARD
SCHEMBL10102038 0.73 SMN1; SMN2 (0.51) L3MBTL1S1PR1NPC1RAB9AMAOB
SCHEMBL10102036 0.72 NPC1 (0.50) L3MBTL1S1PR1NPC1RAB9APPARG
SCHEMBL10101741 0.72 S1PR1 (0.48) MAPTL3MBTL1GAAS1PR1POLB
SCHEMBL11451678 0.72 FFAR1 (0.46) MAPTL3MBTL1NPSR1THRBALDH1A1

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 MAPT 2433/4885L3MBTL1 4843/4885NPSR1 333/4885

“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.