SCHEMBL163764

SCHEMBL163764

CCOC(=O)c1cc([O])c2ccc3ccccc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 4/20 0.50
CDC25B P30305 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 4/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
HCRTR1 O43613 2/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
NPC1 O15118 2/20 0.46

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
SCHEMBL164557 0.89 LMNA (0.51) KDM4EKMT2ACDC25BALDH1A1MAPK1
SCHEMBL162900 0.87 CNR2 (0.49) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL163864 0.85 CA12 (0.53) KDM4EKMT2ACDC25BALDH1A1MAPK1
SCHEMBL159959 0.85 ALDH1A1 (0.47) KDM4EKMT2ACDC25BALDH1A1MAPK1
SCHEMBL166312 0.84 ALDH1A1 (0.47) KDM4EKMT2AALDH1A1RAB9AMAPT
SCHEMBL10484070 0.84 KMT2A (0.59) KDM4EKMT2ACDC25BALDH1A1MAPK1
SCHEMBL15204459 0.82 GABRA1 (0.41) KDM4EKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL10484294 0.81 ALDH1A1 (0.59) KDM4EKMT2ACDC25BALDH1A1MAPK1
SCHEMBL164762 0.81 NPC1 (0.49) KDM4EKMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL163117 0.81 ALDH1A1 (0.44) KDM4EKMT2AALDH1A1RAB9AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 WO 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 KDM4E 2214/4885KMT2A 2544/4885CDC25B 4676/4885

“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.