SCHEMBL165370

SCHEMBL165370

CC(C)COC(=O)c1ccoc1[O]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ADORA2B P29275 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA1 P30542 1/20 0.40
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL158238 0.81 TSHR (0.55) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL8936148 0.81 ALDH1A1 (0.56) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL28295333 0.80 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL28296973 0.78 ALDH1A1 (0.53) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL28295482 0.78 ALDH1A1 (0.53) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL164632 0.78 ALDH1A1 (0.58) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL162309 0.77 CA12 (0.46) ALDH1A1TSHRRAB9AHTTNPC1
SCHEMBL166320 0.75 TSHR (0.60) ALDH1A1TSHRSMN1; SMN2RAB9AHTT
SCHEMBL162127 0.75 ADORA2B (0.43) ALDH1A1TSHRMAPTHTTKDM4E
SCHEMBL165259 0.74 HSD17B10 (0.44) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A

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 4862/4885MAPT 261/4885

“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.