SCHEMBL163712

SCHEMBL163712

CC(C)OC(=O)c1nccc([O])n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.41
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA7 P43166 6/20 0.41
CA9 Q16790 6/20 0.41
CA14 Q9ULX7 6/20 0.41
JMJD6 Q6NYC1 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ADORA3 P0DMS8 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL163292 0.84 L3MBTL1 (0.40) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL165741 0.80 KDM4E (0.41) JMJD6KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL162505 0.79 ALDH1A1 (0.47) JMJD6MEN1NPC1RAB9AKMT2A
SCHEMBL163702 0.76 CYP1A2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL165564 0.76 ATR (0.38) CA12CA1CA2CA9CA14
SCHEMBL163732 0.76 FDPS (0.41) NPC1RAB9AADORA3KDM4E
SCHEMBL165493 0.73 ALDH1A1 (0.46) JMJD6NPC1RAB9AKMT2AALDH1A1
SCHEMBL163592 0.72 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL163539 0.71 KMO (0.50)
SCHEMBL160893 0.71 TSHR (0.49) MEN1RAB9AKMT2AALDH1A1LMNA

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 CA12 4471/4885CA1 2770/4885CA2 2000/4885

“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.