SCHEMBL161683

SCHEMBL161683

CC(C)OC(=O)c1cccc([O])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HTT P42858 2/20 0.58
MAPT P10636 2/20 0.58
CA12 O43570 6/20 0.56
CA1 P00915 6/20 0.56
CA2 P00918 6/20 0.56
CA7 P43166 6/20 0.56
CA9 Q16790 6/20 0.56
CA14 Q9ULX7 6/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.49
JMJD6 Q6NYC1 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45

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
SCHEMBL43683 0.88 NPC1 (0.65) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL162876 0.83 MAPT (0.44) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL6233392 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL161684 0.81 CA12 (0.67) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL6057062 0.81 RAB9A (0.58) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL30678268 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL27683331 0.81 RAB9A (0.62) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL23471093 0.80 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL8759589 0.80 NPC1 (0.56) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL16077013 0.80 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2HTTMAPT

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 NPC1 1201/4885RAB9A 3460/4885SMN1; SMN2 1/4885

“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.