SCHEMBL6738549

SCHEMBL6738549

COc1cc2oc(=O)c(C)c(C)c2cc1OCCCBr

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
NQO1 P15559 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ABCB1 P08183 5/20 0.43
ABCC1 P33527 5/20 0.43
MAOB P27338 2/20 0.43
ALDH1A2 O94788 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH1B1 P30837 1/20 0.42
ALDH1A3 P47895 1/20 0.42
NPC1 O15118 1/20 0.40

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
SCHEMBL6734922 0.88 ACHE (0.52) ACHENQO1MEN1KMT2AKDM4E
SCHEMBL8807147 0.86 ACHE (0.53) ACHENQO1MEN1KMT2AKDM4E
SCHEMBL8807846 0.82 ACHE (0.48) ACHENQO1MEN1KMT2AKDM4E
SCHEMBL8745793 0.78 NQO1 (0.56) NQO1MEN1KMT2AKDM4EMAPT
SCHEMBL9080519 0.77 NQO1 (0.58) ACHENQO1MEN1KMT2AKDM4E
SCHEMBL8806039 0.77 ALDH1A1 (0.57) MEN1KMT2AKDM4EMAPTALDH1A2
SCHEMBL8807713 0.76 ALDH1A1 (0.48) ACHENQO1KDM4EMAPTALDH1A2
SCHEMBL16698722 0.75 ALDH1A1 (0.61) ACHENQO1MEN1KMT2AKDM4E
SCHEMBL11099484 0.75 ACHE (0.66) ACHEKDM4EMAOB
SCHEMBL8805913 0.74 DRD2 (0.71) ABCB1ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014768-A1 Chromenone derivatives and their use for treating diseases in conjunction with 5-hta1receptors and/or dopamine d2 receptors MERCK PATENT GMBH (DE) 2004-01-22 US disclosed
EP-1311503-A1 CHROMENONE DERIVATIVES AND THEIR USE FOR TREATING DISEASES IN CONJUNCTION WITH 5-HTA1 RECEPTORS AND/OR DOPAMINE D2 RECEPTORS MERCK PATENT GmbH (DE) 2003-05-21 EP disclosed
WO-2002016354-A1 CHROMENONE DERIVATIVES AND THEIR USE FOR TREATING DISEASES IN CONJUNCTION WITH 5-HTA1 RECEPTORS AND/OR DOPAMINE D2 RECEPTORS MERCK PATENT GMBH (DE) 2002-02-28 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 (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-20040014768-A1 Chromenone derivatives and their use for treating diseases in conjunction with 5-hta1receptors and/or dopamine d2 receptors HTR1A, HTR1D, HTR1E ACHE 1432/4885NQO1 1825/4885MEN1 1983/4885

“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.