SCHEMBL163512

SCHEMBL163512

CC(C)(C)OC(=O)c1ccc2cc3ccccc3cc2c1[O]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
GABRB1 P18505 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL161514 0.86 MEN1 (0.45) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL1204440 0.83 KDM4E (0.56) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL165293 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL161870 0.82 MEN1 (0.43) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL31395544 0.82 KDM4E (0.54) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL158983 0.79 KDM4E (0.48) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL162383 0.79 TSHR (0.53) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL164007 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10CDC25B
SCHEMBL163283 0.77 MAOA (0.48) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL164374 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EGAAMEN1KMT2A

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 1667/4885KDM4E 2214/4885GAA 131/4885

“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.