SCHEMBL4429153

SCHEMBL4429153

CNC(=O)C(C)(C)Oc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ PPARA Q07869 7/20 0.47
▸ CYP1A2 P05177 4/20 0.44
▸ CYP3A4 P08684 4/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ ELANE P08246 2/20 0.42
▸ PPARG P37231 2/20 0.42
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ HSD11B2 P80365 1/20 0.40
▸ FABP2 P12104 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
SCHEMBL19696240 0.92 CYP3A4 (0.50) MEN1KMT2AKDM4EPPARACYP1A2
SCHEMBL20133460 0.84 PPARA (0.46) MEN1KMT2APPARACYP1A2CYP3A4
SCHEMBL30901955 0.84 CNR1 (0.47) MEN1KMT2APPARACYP1A2CYP3A4
SCHEMBL3237160 0.84 MAPT (0.50) MEN1KMT2APPARACYP1A2CYP3A4
SCHEMBL4187063 0.79 MEN1 (0.50) MEN1KMT2AKDM4EPPARACYP1A2
SCHEMBL3844599 0.79 PPARA (0.69) MEN1KMT2AKDM4EPPARACYP1A2
SCHEMBL22209082 0.77 PPARA (0.70) MEN1KMT2APPARACYP1A2CYP3A4
SCHEMBL6081148 0.74 MEN1 (0.49) MEN1KMT2AKDM4EPPARACYP1A2
SCHEMBL11830100 0.73 MAPT (0.49) MEN1KMT2AKDM4EPPARACYP1A2
SCHEMBL30554086 0.73 KDM4E (0.38) MEN1KMT2AKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 — — EP disclosed
US-7253318-B2 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. (US) 2007-08-07 — — US disclosed
EP-1761480-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-14 — — EP disclosed
WO-2006000324-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 — — WO disclosed
US-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. 2005-12-29 — — US 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 (1 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-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors MAOB, MAOA, COMT MEN1 1578/4885KMT2A 703/4885KDM4E 211/4885

“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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