SCHEMBL18586754

SCHEMBL18586754

CC(C)(C)c1cc(C(=O)CBr)ccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.59
RXRB P28702 5/20 0.59
RXRG P48443 5/20 0.59
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EGFR P00533 1/20 0.48
MRGPRX4 Q96LA9 3/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
FOLH1 Q04609 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ABCB1 P08183 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL1437962 0.87 RXRA (0.59) RXRARXRBRXRGNPC1HPGD
SCHEMBL5030365 0.87 RXRA (0.72) RXRARXRBRXRGMRGPRX4
SCHEMBL8908814 0.85 RXRA (0.63) RXRARXRBRXRGNPC1HPGD
SCHEMBL8356708 0.84 NPC1 (0.64) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5364510 0.83 RXRA (0.60) RXRARXRBRXRGNPC1HPGD
SCHEMBL1437989 0.83 FFAR4 (0.58) RXRARXRBRXRGNPC1HPGD
SCHEMBL5369815 0.82 RXRA (0.59) RXRARXRBRXRGNPC1HPGD
SCHEMBL1119481 0.82 NPC1 (0.78) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL31194744 0.82 NPC1 (0.78) RXRANPC1HPGDRAB9ASMN1; SMN2
SCHEMBL10604837 0.81 EGFR (0.65) NPC1HPGDRAB9ASMN1; SMN2EGFR

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 RXRA 189/4885RXRB 190/4885RXRG 259/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 RXRA 189/4885RXRB 190/4885RXRG 259/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 RXRA 189/4885RXRB 190/4885RXRG 259/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 RXRA 189/4885RXRB 190/4885RXRG 259/4885

“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.