SCHEMBL10101773

SCHEMBL10101773

C/C(=N\OCc1ccc(C)cc1)c1cc(O)c(C)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.43
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PPARD Q03181 2/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MAOB P27338 3/20 0.34
MAOA P21397 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL10101769 0.91 S1PR1 (0.42) S1PR1PPARGPPARAPPARDPOLB
SCHEMBL10101765 0.88 CA12 (0.44) S1PR1PPARGPPARAPOLBGAA
SCHEMBL10101767 0.88 S1PR1 (0.40) S1PR1PPARDPOLBGAAMAPT
SCHEMBL10102154 0.87 S1PR1 (0.41) S1PR1PPARGPPARAPPARDGAA
SCHEMBL10101774 0.86 BACE1 (0.40) S1PR1POLBGAAMAPTL3MBTL1
SCHEMBL10101760 0.86 L3MBTL1 (0.42) S1PR1PPARGPPARAPOLBGAA
SCHEMBL10101753 0.85 MAPK1 (0.41) S1PR1PPARGPPARAPOLBGAA
SCHEMBL10101757 0.85 S1PR1 (0.41) S1PR1PPARGPPARAPOLBGAA
SCHEMBL10102149 0.81 SMN1; SMN2 (0.40) S1PR1GAAMAPTL3MBTL1MAOB
SCHEMBL10101752 0.81 POLB (0.41) S1PR1POLBGAAMAPTL3MBTL1

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 909/4885PPARG 171/4885PPARA 317/4885

“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.