SCHEMBL18587776

SCHEMBL18587776

COCOc1ccc(N2CCOCC2)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPK1 P28482 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 3/20 0.40
MCHR1 Q99705 1/20 0.39
RXRA P19793 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
LMNA P02545 3/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL26075476 0.85 MEN1 (0.49) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL16742541 0.81 INSR (0.46) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL29887039 0.81 MAPT (0.48) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL28833540 0.81 MAPT (0.48) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL13624077 0.76 MEN1 (0.52) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL28833460 0.74 LGMN (0.37) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL18587639 0.74 P2RY12 (0.38) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL38659031 0.73 AGXT (0.51) MAPTALDH1A1MAPK1KDM4EHTT
SCHEMBL18587266 0.73 HSP90AA1 (0.57) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL19398820 0.73 MAPT (0.46) MAPTALDH1A1MEN1KMT2AMAPK1

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 MAPT 3479/4885ALDH1A1 131/4885MEN1 1981/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 MAPT 3479/4885ALDH1A1 131/4885MEN1 1981/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 MAPT 3479/4885ALDH1A1 131/4885MEN1 1981/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 MAPT 3479/4885ALDH1A1 131/4885MEN1 1981/4885

“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.