SCHEMBL10101804

SCHEMBL10101804

CCOC(=O)COc1cc(/C(C)=N/OCc2ccc([N+](=O)[O-])cc2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
S1PR1 P21453 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10106858 0.91 MAPT (0.49) POLBMAOBLMNAMAPTHTT
SCHEMBL10102000 0.81 MAPT (0.53) POLBKMT2ATDP1MAOBLMNA
SCHEMBL10102010 0.81 NPC1 (0.44) POLBKMT2ATDP1MAOBLMNA
SCHEMBL10101946 0.79 SMN1; SMN2 (0.48) POLBKMT2ATDP1MAOBMAPT
SCHEMBL10102298 0.78 SMN1; SMN2 (0.47) POLBKMT2ATDP1MAOBMAPT
SCHEMBL10102030 0.77 SMN1; SMN2 (0.48) POLBKMT2ATDP1MAOBMAPT
SCHEMBL10107086 0.77 HTT (0.53) KMT2AMAOBLMNAMAPTHTT
SCHEMBL8020889 0.77 PPARG (0.48) MAPTHTTS1PR1SMN1; SMN2HPGD
SCHEMBL8026075 0.77 PPARG (0.48) MAPTHTTS1PR1SMN1; SMN2HPGD
SCHEMBL29451164 0.76 PTGS2 (0.58) KMT2AMAOBLMNAMAPTHTT

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 POLB 4460/4885KMT2A 4832/4885TDP1 4730/4885

“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.