SCHEMBL10101743

SCHEMBL10101743

C/C(=N\OCc1cc(C)cc(F)c1)c1ccc(C)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PTBP1 P26599 1/20 0.41
PPARG P37231 7/20 0.38
PPARA Q07869 6/20 0.38
PPARD Q03181 2/20 0.38
S1PR1 P21453 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
CA12 O43570 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
SCHEMBL10102056 0.94 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPTBP1PPARGPPARA
SCHEMBL10102038 0.86 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPTBP1PPARGPPARA
SCHEMBL10102011 0.85 NPC1 (0.46) SMN1; SMN2LMNAPTBP1PPARGPPARA
SCHEMBL10101726 0.83 S1PR1 (0.48) SMN1; SMN2PPARGPPARAPPARDS1PR1
SCHEMBL10101740 0.82 NPC1 (0.48) SMN1; SMN2PPARGPPARANPC1RAB9A
SCHEMBL10101746 0.82 S1PR1 (0.43) SMN1; SMN2LMNAPTBP1PPARGPPARA
SCHEMBL10102075 0.81 MAOA (0.44) SMN1; SMN2LMNAPTBP1PPARGPPARA
SCHEMBL10102036 0.80 NPC1 (0.50) SMN1; SMN2LMNAPPARGPPARAS1PR1
SCHEMBL10107036 0.79 RECQL (0.43) SMN1; SMN2LMNAPTBP1PPARGPPARA
SCHEMBL10101744 0.78 S1PR1 (0.41) SMN1; SMN2LMNAPTBP1PPARGPPARA

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 SMN1; SMN2 3060/4885LMNA 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.