SCHEMBL5607380

SCHEMBL5607380

COc1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
LMNA P02545 3/20 0.66
HSPB1 P04792 2/20 0.52
CYP19A1 P11511 1/20 0.52
PTGS2 P35354 1/20 0.52
TBXA2R P21731 1/20 0.51
ACHE P22303 2/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE7A Q13946 1/20 0.50
TLR9 Q9NR96 1/20 0.50
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
AR P10275 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TTR P02766 2/20 0.47

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
SCHEMBL27438037 0.94 ALDH1A1 (0.62) ALDH1A1LMNAHSPB1CYP19A1PTGS2
SCHEMBL4229377 0.91 ALDH1A1 (0.55) ALDH1A1LMNAHSPB1CYP19A1PTGS2
SCHEMBL8973950 0.84 ACHE (0.53) ALDH1A1LMNAHSPB1TBXA2RACHE
SCHEMBL5240730 0.84 HSPB1 (0.55) ALDH1A1LMNAHSPB1TBXA2RACHE
SCHEMBL4687037 0.84 ALDH1A1 (0.61) ALDH1A1LMNAHSPB1CYP19A1PTGS2
SCHEMBL13915777 0.84 HSPB1 (0.71) ALDH1A1LMNAHSPB1CYP19A1PTGS2
SCHEMBL25518718 0.83 ALDH1A1 (0.64) ALDH1A1LMNAHSPB1TBXA2RACHE
SCHEMBL177794 0.83 CYP19A1 (0.60) ALDH1A1LMNAHSPB1CYP19A1PTGS2
SCHEMBL5606789 0.82 HSPB1 (0.52) ALDH1A1LMNAHSPB1TBXA2RACHE
SCHEMBL17258622 0.82 ACHE (0.68) ALDH1A1ACHEHTTMAPTMAPK1

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
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 ALDH1A1 1406/4885LMNA 3266/4885HSPB1 1357/4885

“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.