SCHEMBL10101749

SCHEMBL10101749

C/C(=N\OCc1ccccc1F)c1ccc(C)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
S1PR1 P21453 3/20 0.41
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PTBP1 P26599 1/20 0.39
PPARG P37231 6/20 0.39
PPARA Q07869 6/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
PPARD Q03181 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
IDO1 P14902 2/20 0.36
SPHK2 Q9NRA0 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35

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 0.86 MAOB (0.45) MAOBS1PR1LMNASMN1; SMN2PTBP1
SCHEMBL10101744 0.86 S1PR1 (0.41) MAOBS1PR1LMNASMN1; SMN2PTBP1
SCHEMBL10106911 0.85 PDE4D (0.45) MAOBS1PR1LMNAPPARGPPARA
SCHEMBL10102036 0.81 NPC1 (0.50) S1PR1LMNASMN1; SMN2PPARGPPARA
SCHEMBL10101746 0.81 S1PR1 (0.43) MAOBS1PR1LMNASMN1; SMN2PTBP1
SCHEMBL10102075 0.80 MAOA (0.44) MAOBS1PR1LMNASMN1; SMN2PTBP1
SCHEMBL10102080 0.79 NR1H4 (0.37) S1PR1LMNASMN1; SMN2PTBP1PPARG
SCHEMBL10102056 0.79 SMN1; SMN2 (0.44) S1PR1LMNASMN1; SMN2PTBP1PPARG
SCHEMBL10102038 0.79 SMN1; SMN2 (0.51) MAOBS1PR1LMNASMN1; SMN2PTBP1
SCHEMBL10102011 0.79 NPC1 (0.46) MAOBS1PR1LMNASMN1; SMN2PTBP1

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 MAOB 2633/4885S1PR1 909/4885LMNA 2636/4885

“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.