SCHEMBL161503

SCHEMBL161503

CC(C)COC(=O)c1coc([O])n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
FBP1 P09467 1/20 0.40
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
ADORA2B P29275 2/20 0.34
NLRP3 Q96P20 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL160214 0.81 CYP1A2 (0.53) ALDH1A1TSHRFBP1MAPTNPC1
SCHEMBL163138 0.79 ALDH1A1 (0.43) ALDH1A1TSHRFBP1MAPTNPC1
SCHEMBL162928 0.78 ALDH1A1 (0.44) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL158357 0.76 TSHR (0.46) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL15204499 0.76 GABRA1 (0.40) ALDH1A1FBP1MAPTSMN1; SMN2LMNA
SCHEMBL161081 0.75 DAGLA (0.43) ALDH1A1FBP1MAPTNPC1RAB9A
SCHEMBL162927 0.74 ALDH1A1 (0.45) ALDH1A1TSHRMAPTNPC1HTT
SCHEMBL15205035 0.72 TSHR (0.50) ALDH1A1TSHRMAPTNPC1HTT
SCHEMBL161890 0.71 NPC1 (0.43) ALDH1A1TSHRMAPTNPC1HTT
SCHEMBL164417 0.71 HPGDS (0.35) ALDH1A1FBP1MAPTNPC1RAB9A

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 ALDH1A1 1667/4885TSHR 4862/4885FBP1 1935/4885

“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.