SCHEMBL18587378

SCHEMBL18587378

Nc1cc(O)c(Br)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ CA1 P00915 5/20 0.43
▸ CA2 P00918 5/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA7 P43166 3/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA6 P23280 2/20 0.38
▸ CA5A P35218 2/20 0.38
▸ CA5B Q9Y2D0 2/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ THRB P10828 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
SCHEMBL1098600 0.81 HSD17B10 (0.46) GAACA1CA2CA9CA12
SCHEMBL29663733 0.79 HSD17B10 (0.55) ALDH1A1ALOX15HPGDHSD17B10TSHR
SCHEMBL27427442 0.79 ALOX15 (0.42) GAACA1CA2CA9CA12
SCHEMBL11595609 0.79 HSD17B10 (0.55) ALDH1A1ALOX15HPGDHSD17B10TSHR
SCHEMBL29501763 0.77 ALOX15 (0.40) GAACA1CA2CA9CA12
SCHEMBL9629823 0.77 GAA (0.67) GAACA1CA2CA9CA12
SCHEMBL1134914 0.77 ALOX15 (0.40) GAACA1CA2CA9CA12
SCHEMBL454590 0.77 TSHR (0.60) GAACA1CA2CA9CA12
SCHEMBL8640677 0.77 TSHR (0.52) CA1CA2ALDH1A1ALOX15HPGD
SCHEMBL29949928 0.77 TSHR (0.60) GAACA1CA2CA9CA12

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 — — US disclosed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 — — US disclosed
CN-108026077-B Phenoxymethyl derivatives 豪夫迈·罗氏有限公司 2021-11-05 — — CN disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — US disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 — — US disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 — — EP disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 — — EP disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 — — US disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 — — US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 — — US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 — — US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 — — US disclosed
EP-3344619-A1 PHENOXYMETHYL DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-07-11 — — EP disclosed
WO-2017037146-A1 PHENOXYMETHYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-09 — — WO disclosed
WO-2017037146-A1 PHENOXYMETHYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-09 — — 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 (4 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-20200339522-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 GAA 4403/4885CA1 3081/4885CA2 3091/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 GAA 4403/4885CA1 3081/4885CA2 3091/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 GAA 4403/4885CA1 3081/4885CA2 3091/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 GAA 4403/4885CA1 3081/4885CA2 3091/4885

“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.

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