SCHEMBL10102129

SCHEMBL10102129

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
MAPK1 P28482 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.39
S1PR1 P21453 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
APP P05067 1/20 0.39
XBP1 P17861 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL10102149 0.91 SMN1; SMN2 (0.40) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10106932 0.90 MAPT (0.50) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10102148 0.89 CA12 (0.42) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10102158 0.89 SMN1; SMN2 (0.41) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10102135 0.89 SMN1; SMN2 (0.46) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10102114 0.89 MAPT (0.45) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10102144 0.89 PSD (0.40) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10102123 0.89 MAPT (0.50) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10101757 0.87 S1PR1 (0.41) MAPTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL10102154 0.87 S1PR1 (0.41) MAPTMAPK1SMN1; SMN2MEN1KMT2A

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 2433/4885MAPK1 3818/4885SMN1; SMN2 3060/4885

“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.