SCHEMBL679884

SCHEMBL679884

Cc1ccc(OC(=O)c2ccc(/C=C/C(=O)OCc3cc(N)cc(N)c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 3/20 0.45
MAOB P27338 2/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
MAOA P21397 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
LMNA P02545 3/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42

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
SCHEMBL679321 1.00 MAPT (0.46) MAPTKDM4EKMT2AMAOBCA12
SCHEMBL13495604 0.89 LMNA (0.53) MAPTKDM4EKMT2AMAOBCA12
SCHEMBL5067160 0.87 MAPT (0.42) MAPTKDM4EKMT2ACA12CA7
SCHEMBL1565142 0.87 MAPT (0.42) MAPTKDM4EKMT2ACA12CA7
SCHEMBL5019482 0.86 ABCG2 (0.49) MAPTKMT2ALMNAPRSS1ACR
SCHEMBL5019472 0.85 MAPT (0.45) MAPTKDM4EKMT2AMAOBCA12
SCHEMBL2138858 0.85 MAPT (0.41) MAPTKDM4EKMT2ACA12CA7
SCHEMBL1565118 0.85 MAPT (0.40) MAPTKDM4EMAOBCA12CA7
SCHEMBL5067125 0.85 MAPT (0.40) MAPTKDM4EMAOBCA12CA7
SCHEMBL679197 0.84 MAPT (0.44) MAPTKDM4EKMT2AMAOBCA12

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-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 US disclosed
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 MAPT 159/4885KDM4E 2018/4885KMT2A 921/4885

“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.