SCHEMBL10101744

SCHEMBL10101744

C/C(=N\OCc1ccc(C)cc1F)c1ccc(C)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.41
LMNA P02545 1/20 0.38
PTBP1 P26599 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 5/20 0.36
PPARA Q07869 5/20 0.36
PPARD Q03181 2/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAOB P27338 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
S1PR3 Q99500 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK14 Q16539 1/20 0.32

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
SCHEMBL10102074 0.90 MAOB (0.45) S1PR1LMNAPTBP1SMN1; SMN2PPARG
SCHEMBL10101749 0.86 MAOB (0.42) S1PR1LMNAPTBP1SMN1; SMN2PPARG
SCHEMBL10101726 0.80 S1PR1 (0.48) S1PR1SMN1; SMN2PPARGPPARAPPARD
SCHEMBL10101746 0.80 S1PR1 (0.43) S1PR1LMNAPTBP1SMN1; SMN2PPARG
SCHEMBL10102075 0.79 MAOA (0.44) S1PR1LMNAPTBP1SMN1; SMN2PPARG
SCHEMBL10102038 0.78 SMN1; SMN2 (0.51) S1PR1LMNAPTBP1SMN1; SMN2PPARG
SCHEMBL10102056 0.78 SMN1; SMN2 (0.44) S1PR1LMNAPTBP1SMN1; SMN2PPARG
SCHEMBL10101743 0.78 SMN1; SMN2 (0.41) S1PR1LMNAPTBP1SMN1; SMN2PPARG
SCHEMBL10101740 0.77 NPC1 (0.48) SMN1; SMN2PPARGPPARAMAOBL3MBTL1
SCHEMBL10107287 0.76 MAOB (0.43) S1PR1LMNAPTBP1SMN1; SMN2PPARG

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 909/4885LMNA 2636/4885PTBP1 2831/4885

“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.