SCHEMBL162981

SCHEMBL162981

CC(C)COC(=O)c1ccnnc1[O]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
JMJD6 Q6NYC1 1/20 0.39

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
SCHEMBL160323 0.82 TSHR (0.52) ALDH1A1TSHRMAPTHTTKDM4E
SCHEMBL159284 0.79 ALDH1A1 (0.54) ALDH1A1TSHRTDP1KDM4ETP53
SCHEMBL161461 0.79 CA12 (0.44) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL162690 0.78 ALDH1A1 (0.65) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL161728 0.77 ADRA1A (0.41) ALDH1A1MAPTKDM4EADRA1ALMNA
SCHEMBL158281 0.77 TSHR (0.57) ALDH1A1TSHRSMN1; SMN2TDP1KDM4E
SCHEMBL162113 0.76 KDM4E (0.47) ALDH1A1TSHRMAPTTDP1KDM4E
SCHEMBL20188582 0.73 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL30817753 0.73 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL161919 0.72 ALOX5 (0.41) ALDH1A1TSHRSMN1; SMN2MAPTHTT

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 4862/4885SMN1; 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.