SCHEMBL10107078

SCHEMBL10107078

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
RAB9A P51151 2/20 0.38
BACE1 P56817 2/20 0.38
KLK7 P49862 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 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
MGAM O43451 3/20 0.36
GAA P10253 3/20 0.36
SI P14410 3/20 0.36
MGAM2 Q2M2H8 3/20 0.36
HSP90AA1 P07900 1/20 0.35
SLC2A1 P11166 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
SCHEMBL10106953 0.94 S1PR1 (0.39) S1PR1PPARGPPARAMGAMGAA
SCHEMBL10106954 0.92 S1PR1 (0.38) S1PR1BACE1MEN1KMT2AHPGD
SCHEMBL10106955 0.91 CA12 (0.42) S1PR1RAB9APPARGPPARANPC1
SCHEMBL10106946 0.91 S1PR1 (0.38) S1PR1RAB9APPARGPPARAMEN1
SCHEMBL10107270 0.91 S1PR1 (0.38) S1PR1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL10107076 0.91 S1PR1 (0.43) S1PR1RAB9APPARGPPARAMEN1
SCHEMBL10107079 0.90 HSP90AA1 (0.39) S1PR1RAB9AMEN1KMT2ANPC1
SCHEMBL10107274 0.88 S1PR1 (0.42) S1PR1RAB9ABACE1PPARGPPARA
SCHEMBL10106932 0.85 MAPT (0.50) S1PR1RAB9AMEN1KMT2ANPC1
SCHEMBL10106948 0.83 CYP17A1 (0.39) S1PR1ALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 909/4885RAB9A 3908/4885BACE1 1154/4885

“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.