SCHEMBL10101730

SCHEMBL10101730

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
AGXT P21549 2/20 0.31
S1PR1 P21453 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
THRB P10828 1/20 0.30
IGF1R P08069 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL10101955 0.85 SMN1; SMN2 (0.42) MAPTGAAL3MBTL1POLBNPSR1
SCHEMBL10101729 0.85 L3MBTL1 (0.43) MAPTGAAL3MBTL1POLBAGXT
SCHEMBL10101728 0.78 MAPT (0.39) MAPTGAAL3MBTL1POLBAGXT
SCHEMBL15251323 0.72 HTT (0.42) MAPTGAANPSR1
SCHEMBL10101751 0.72 L3MBTL1 (0.43) MAPTGAAL3MBTL1POLBAGXT
SCHEMBL10101769 0.71 S1PR1 (0.42) MAPTGAAL3MBTL1POLBS1PR1
SCHEMBL10101922 0.71 SMN1; SMN2 (0.43) MAPTGAAPOLBS1PR1NPSR1
SCHEMBL10102111 0.71 SMN1; SMN2 (0.43) MAPTGAAPOLBS1PR1NPSR1
SCHEMBL10101753 0.68 MAPK1 (0.41) MAPTGAAL3MBTL1POLBS1PR1
SCHEMBL9945411 0.67 L3MBTL1 (0.47) MAPTGAAL3MBTL1POLBAGXT

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 MAPT 2433/4885GAA 2110/4885L3MBTL1 4843/4885

“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.