SCHEMBL160612

SCHEMBL160612

CC(C)COC(=O)c1ccc2c(ccc3ccccc32)c1[O]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
KDM4E B2RXH2 2/20 0.48
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CDC25B P30305 2/20 0.41

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
SCHEMBL162635 0.93 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL162793 0.85 CDC25B (0.57) ALDH1A1TSHRKDM4EMAPTNPC1
SCHEMBL164374 0.84 ALDH1A1 (0.56) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL161248 0.82 ALDH1A1 (0.55) ALDH1A1TSHRKDM4ENPC1RAB9A
SCHEMBL6909094 0.82 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EADRB2ADRB1
SCHEMBL164724 0.82 KDM4E (0.45) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL161846 0.80 TSHR (0.57) ALDH1A1TSHRKDM4ETDP1TP53
SCHEMBL15205131 0.80 GABRA1 (0.40) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL164215 0.80 MAPT (0.49) ALDH1A1TSHRKDM4EMAPTKMT2A
SCHEMBL8028141 0.80 ALDH1A1 (0.72) ALDH1A1TSHRKDM4EADRB2ADRB1

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 4862/4885KDM4E 2214/4885

“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.