SCHEMBL163016

SCHEMBL163016

CC(C)(C)OC(=O)n1cccc1[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
BCHE P06276 1/20 0.46
BUB1 O43683 1/20 0.42
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR119 Q8TDV5 2/20 0.37
MAPK1 P28482 1/20 0.36
TNK2 Q07912 1/20 0.36
POLB P06746 1/20 0.35
ABCB1 P08183 1/20 0.35
HTR6 P50406 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL15417736 0.81 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL4916320 0.81 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL6028153 0.81 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL8264796 0.80 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL7361304 0.80 HSP90AA1 (0.49) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL24914436 0.80 HSP90AA1 (0.52) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL13180192 0.80 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL2616414 0.80 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL19204908 0.80 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL4076931 0.80 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1

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 HSP90AA1 3175/4885HSP90AB1 2882/4885BCHE 37/4885

“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.