SCHEMBL10101729

SCHEMBL10101729

CC(=NOCc1ccc(C)cc1)c1cc(O)c(C)cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
S1PR1 P21453 2/20 0.38
CA12 O43570 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
AGXT P21549 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL10101730 0.85 MAPT (0.34) L3MBTL1MAPTPOLBGAAS1PR1
SCHEMBL10102111 0.85 SMN1; SMN2 (0.43) MAPTPOLBGAAS1PR1NPC1
SCHEMBL10101922 0.85 SMN1; SMN2 (0.43) MAPTPOLBGAAS1PR1NPC1
SCHEMBL10101751 0.84 L3MBTL1 (0.43) L3MBTL1MAPTPOLBGAAS1PR1
SCHEMBL10101769 0.83 S1PR1 (0.42) L3MBTL1MAPTPOLBGAAS1PR1
SCHEMBL10101753 0.80 MAPK1 (0.41) L3MBTL1MAPTPOLBGAAS1PR1
SCHEMBL10101765 0.78 CA12 (0.44) L3MBTL1MAPTPOLBGAAS1PR1
SCHEMBL10101774 0.78 BACE1 (0.40) L3MBTL1MAPTPOLBGAAS1PR1
SCHEMBL10101760 0.78 L3MBTL1 (0.42) L3MBTL1MAPTPOLBGAAS1PR1
SCHEMBL10101777 0.77 S1PR1 (0.39) L3MBTL1MAPTPOLBGAAS1PR1

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 L3MBTL1 4843/4885MAPT 2433/4885POLB 4460/4885

“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.