SCHEMBL5607368

SCHEMBL5607368

Oc1ccccc1Oc1ccc(-c2ccsc2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.45
ACMSD Q8TDX5 1/20 0.45
CYP2A6 P11509 2/20 0.43
CYP2E1 P05181 1/20 0.43
CYP2B6 P20813 1/20 0.43
PTPRC P08575 1/20 0.42
KCNH2 Q12809 1/20 0.41
PDK2 Q15119 1/20 0.39
TRPM4 Q8TD43 1/20 0.37
SLC6A9 P48067 1/20 0.37
TMIGD3 P0DMS9 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
GLO1 Q04760 1/20 0.35

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
SCHEMBL5606726 0.83 ERN1 (0.44) ERN1ACMSDCYP2A6KCNH2
SCHEMBL5606504 0.75 GAK (0.50) ERN1CYP2A6CYP2E1CYP2B6PTPRC
SCHEMBL5342402 0.73 CA2 (0.42) CYP2A6CYP2E1CYP2B6
SCHEMBL29446988 0.71 CA2 (0.62)
SCHEMBL18197 0.71 CA2 (0.62)
SCHEMBL3134647 0.69 KCNH2 (0.69) ERN1ACMSDCYP2A6CYP2E1CYP2B6
Ammonia Solution, Strong SCHEMBL28322857 0.69 CA2 (0.59)
SCHEMBL7806601 0.69 CA2 (0.59)
Phosphine SCHEMBL28067413 0.69 CA2 (0.59)
Methane SCHEMBL11062496 0.69 CA2 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838300-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS Emergent Product Development Gaithersburg Inc. (US) 2007-10-03 EP claimed
US-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG, INC. 2006-09-21 US claimed
WO-2006071471-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2006-07-06 WO claimed
EP-1838300-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS Emergent Product Development Gaithersburg Inc. (US) 2007-10-03 EP disclosed
US-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG, INC. 2006-09-21 US disclosed
WO-2006071471-A2 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2006-07-06 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-20060211697-A1 2-(2 Or 4-substituted aryloxy)-phenol derivatives as antibacterial agents TYR, NFE2L2, CYP1A1 ERN1 1840/4885ACMSD 857/4885CYP2A6 130/4885

“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.