SCHEMBL165564

SCHEMBL165564

CC(C)(C)OC(=O)c1nccc([O])n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.38
ALDH1A1 P00352 2/20 0.35
HPGDS O60760 1/20 0.35
GABRA1 P14867 6/20 0.34
GABRG2 P18507 6/20 0.34
GABRB3 P28472 6/20 0.34
GABRA3 P34903 6/20 0.34
GABRA2 P47869 6/20 0.34
GABRA5 P31644 5/20 0.34
GABRA6 Q16445 4/20 0.34
GABRA4 P48169 3/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRE P78334 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL3366139 0.83 HPGDS (0.40) ATRALDH1A1HPGDSGABRA1GABRG2
SCHEMBL30371874 0.83 ALOX15 (0.38) ATRALDH1A1HPGDSGABRA1GABRG2
SCHEMBL25659580 0.83 ALOX15 (0.38) ATRALDH1A1HPGDSGABRA1GABRG2
SCHEMBL2657627 0.81 ATR (0.37) ATRALDH1A1HPGDSGABRA1GABRG2
Ammonia Solution, Strong SCHEMBL28013993 0.81 HPGDS (0.39) ATRALDH1A1HPGDSGABRA1GABRG2
SCHEMBL165741 0.80 KDM4E (0.41) ALDH1A1ALOX15GAAKMT2A
SCHEMBL30711661 0.80 ATR (0.39) ATRALDH1A1HPGDSGABRA1GABRG2
SCHEMBL2350498 0.78 ATR (0.35) ATRALDH1A1HPGDSGABRA1GABRG2
SCHEMBL5520484 0.77 ALDH1A1 (0.40) ATRALDH1A1HPGDSGABRA1GABRG2
SCHEMBL163712 0.76 CA12 (0.41) ALDH1A1CA12CA1CA2CA9

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 ATR 3678/4885ALDH1A1 1667/4885HPGDS 3418/4885

“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.