SCHEMBL166187

SCHEMBL166187

CCC(C)OC(=O)c1cc([O])c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
BAZ2B Q9UIF8 1/20 0.40
BAZ2A Q9UIF9 1/20 0.40
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRA6 Q16445 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 2/20 0.34
ADORA2B P29275 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRA1A P35348 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL161604 0.83 KDM4E (0.45) ALDH1A1BAZ2BBAZ2AL3MBTL1KDM4E
SCHEMBL162674 0.76 GABRP (0.50) ALDH1A1BAZ2BBAZ2AGABRA1GABRG2
SCHEMBL162809 0.75 ALDH1A1 (0.48) ALDH1A1BAZ2BBAZ2AGABRA1GABRG2
SCHEMBL164496 0.73 ALDH1A1 (0.44) ALDH1A1BAZ2BBAZ2AGABRA1GABRG2
SCHEMBL162449 0.73 BAZ2B (0.56) ALDH1A1BAZ2BBAZ2AGAAKDM4E
SCHEMBL163140 0.71 MEN1 (0.44) ALDH1A1L3MBTL1GAAKDM4ECYP1A2
SCHEMBL159942 0.71 GPR84 (0.48) L3MBTL1TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL159282 0.70 L3MBTL1 (0.38) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL161243 0.70 GABRA1 (0.42) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL162195 0.69 ALDH1A1 (0.38) ALDH1A1BAZ2BBAZ2AGABRA1GABRG2

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 1667/4885BAZ2B 2722/4885BAZ2A 3197/4885

“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.