SCHEMBL10101757

SCHEMBL10101757

COc1ccc(-c2cc(C)c(O)cc2/C(C)=N/OCc2ccc(C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.41
HSP90AA1 P07900 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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 0.93 S1PR1 (0.42) S1PR1MAPTL3MBTL1POLBGAA
SCHEMBL10101765 0.88 CA12 (0.44) S1PR1MAPTL3MBTL1POLBGAA
SCHEMBL10101774 0.88 BACE1 (0.40) S1PR1MAPTL3MBTL1POLBGAA
SCHEMBL10101760 0.88 L3MBTL1 (0.42) S1PR1MAPTL3MBTL1POLBGAA
SCHEMBL10101753 0.87 MAPK1 (0.41) S1PR1MAPTL3MBTL1POLBGAA
SCHEMBL10101767 0.87 S1PR1 (0.40) S1PR1MAPTL3MBTL1POLBGAA
SCHEMBL10101752 0.87 POLB (0.41) S1PR1HSP90AA1MAPTL3MBTL1POLB
SCHEMBL10102129 0.87 MAPT (0.50) S1PR1MAPTL3MBTL1POLBGAA
SCHEMBL10101773 0.85 S1PR1 (0.43) S1PR1HSP90AA1MAPTL3MBTL1POLB
SCHEMBL10102149 0.83 SMN1; SMN2 (0.40) S1PR1MAPTL3MBTL1GAAMEN1

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 909/4885HSP90AA1 622/4885MAPT 2433/4885

“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.