SCHEMBL18587467

SCHEMBL18587467

COCOc1ccc(-c2ncco2)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.41
▸ LTA4H P09960 2/20 0.38
▸ P2RX7 Q99572 5/20 0.35
▸ SCARB1 Q8WTV0 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 1/20 0.34
▸ TRPM4 Q8TD43 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ GLRA3 O75311 1/20 0.33
▸ GLRB P48167 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ P2RX3 P56373 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
SCHEMBL18587531 0.75 ESR1 (0.50) LTA4HLMNAHTTCHRNA7CHRNA10
SCHEMBL18586850 0.74 CYP3A4 (0.37) TTKLTA4HP2RX7SCARB1TRPM4
SCHEMBL15158461 0.73 LTA4H (0.41) TTKLTA4HP2RX7SCARB1CHRNA7
SCHEMBL29607317 0.70 EGFR (0.48) LMNAMAPK1HTTEGFRCYP3A4
SCHEMBL958236 0.70 EGFR (0.48) LMNAMAPK1HTTEGFRCYP3A4
SCHEMBL30087029 0.70 USP2 (0.44) LMNAMAPK1HTTEGFRCYP3A4
SCHEMBL1042008 0.70 USP2 (0.44) LMNAMAPK1HTTEGFRCYP3A4
SCHEMBL29813462 0.70 SMN1; SMN2 (0.59) LMNAMAPK1
SCHEMBL23120088 0.69 RBP4 (0.45) LMNAMAPK1HTT
SCHEMBL29607406 0.69 RBP4 (0.45) LMNAMAPK1HTT

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 14 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
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 TTK 4446/4885LTA4H 3149/4885P2RX7 907/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 TTK 4446/4885LTA4H 3149/4885P2RX7 907/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 TTK 4446/4885LTA4H 3149/4885P2RX7 907/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 TTK 4446/4885LTA4H 3149/4885P2RX7 907/4885

“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.

Send feedback