SCHEMBL5367447

SCHEMBL5367447

CC(C)(C)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.60
CCR5 P51681 5/20 0.55
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 1/20 0.52
SLC6A4 P31645 1/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
USP28 Q96RU2 1/20 0.49
USP25 Q9UHP3 1/20 0.49
MAOB P27338 1/20 0.49
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LRRK2 Q5S007 1/20 0.45
ALOX5AP P20292 1/20 0.45

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
SCHEMBL6530691 0.92 PTGDR2 (0.56) PTGDR2CCR5LMNAALDH1A1RAB9A
SCHEMBL6529321 0.88 MRGPRX4 (0.49) PTGDR2CCR5LMNAALDH1A1RAB9A
SCHEMBL15912886 0.88 ALOX5AP (0.54) PTGDR2CCR5LMNAALDH1A1RAB9A
SCHEMBL30955958 0.84 PTGER1 (0.54) CCR5LMNAALDH1A1RAB9ASLC6A4
SCHEMBL3726426 0.84 PTGER1 (0.54) CCR5LMNAALDH1A1RAB9ASLC6A4
SCHEMBL5778498 0.83 CCR5 (0.55) PTGDR2CCR5LMNAALDH1A1RAB9A
SCHEMBL7711466 0.83 RXRA (0.55) CCR5LMNAALDH1A1RXRARXRB
SCHEMBL12772068 0.83 MRGPRX4 (0.52) CCR5RAB9ASLC6A4RXRARXRB
SCHEMBL3237142 0.83 MRGPRX4 (0.54) RXRARXRBRXRGMAOBHTT
SCHEMBL31644088 0.80 SLC6A4 (0.66) CCR5LMNAALDH1A1RAB9ASLC6A4

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 18 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
US-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 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 (5 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 PTGDR2 1176/4885CCR5 2409/4885LMNA 2843/4885
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 PTGDR2 3375/4885CCR5 299/4885LMNA 4409/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 PTGDR2 1176/4885CCR5 2409/4885LMNA 2843/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 PTGDR2 1176/4885CCR5 2409/4885LMNA 2843/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 PTGDR2 1176/4885CCR5 2409/4885LMNA 2843/4885

“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.