SCHEMBL163231

SCHEMBL163231

CC(C)COC(=O)c1cc([O])c2cc3ccccc3cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.49
ADRB2 P07550 3/20 0.46
ADRB1 P08588 3/20 0.46
ADRB3 P13945 3/20 0.46
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HRH3 Q9Y5N1 2/20 0.39
MAPT P10636 3/20 0.39
GPR35 Q9HC97 1/20 0.38
ACHE P22303 1/20 0.38
JMJD6 Q6NYC1 1/20 0.38
DRD3 P35462 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL164015 0.89 ALDH1A1 (0.51) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL160305 0.85 CA12 (0.50) ALDH1A1TSHRKDM4EMAPTNPC1
SCHEMBL161660 0.82 LMNA (0.54) ALDH1A1TSHRKDM4EHRH3MAPT
SCHEMBL163819 0.82 CA12 (0.50) ALDH1A1KDM4EMAPTNPC1HTT
SCHEMBL159959 0.82 ALDH1A1 (0.47) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL15205021 0.80 GABRA1 (0.40) ALDH1A1ADRB2ADRB1ADRB3KDM4E
SCHEMBL162600 0.80 ESR1 (0.50) ALDH1A1TSHRHRH3DRD3SMN1; SMN2
SCHEMBL11983342 0.80 ADRB2 (0.67) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL162792 0.80 TSHR (0.47) ALDH1A1TSHRKDM4EHTTTDP1
SCHEMBL164016 0.78 ALDH1A1 (0.51) ALDH1A1TSHRADRB2ADRB1ADRB3

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 4862/4885ADRB2 4470/4885

“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.