SCHEMBL4564439

SCHEMBL4564439

COc1cc(Br)c(F)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.58
PTGS2 P35354 2/20 0.45
CYP19A1 P11511 1/20 0.45
PDGFRA P16234 1/20 0.43
KDR P35968 1/20 0.43
HTT P42858 2/20 0.43
TLR9 Q9NR96 1/20 0.43
AMY1A P0DUB6 1/20 0.43
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP2 O95551 1/20 0.40
PDE7A Q13946 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
SCHEMBL4229566 0.84 HSPB1 (0.55) HSPB1PTGS2CYP19A1PDGFRAKDR
SCHEMBL3265801 0.81 HSPB1 (0.51) HSPB1PTGS2CYP19A1PDGFRAKDR
SCHEMBL16068847 0.80 HSPB1 (0.48) HSPB1HTTALDH1A1LMNAMAPT
SCHEMBL13915781 0.79 HSPB1 (0.71) HSPB1PTGS2CYP19A1HTTTLR9
SCHEMBL13915777 0.79 HSPB1 (0.71) HSPB1PTGS2CYP19A1HTTTLR9
SCHEMBL26621351 0.78 HSPB1 (0.58) HSPB1HTTTLR9ALDH1A1LMNA
SCHEMBL1129166 0.78 TTR (0.46) KDRHTTHTR2AALDH1A1
SCHEMBL25356037 0.77 HSPB1 (0.58) HSPB1PTGS2CYP19A1HTTTLR9
SCHEMBL13915773 0.77 TLR9 (0.59) HSPB1PTGS2CYP19A1HTTTLR9
SCHEMBL31287925 0.77 HSPB1 (0.62) HSPB1HTTALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF FAB PHARMA (FR) 2016-06-30 US disclosed
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF FAB PHARMA (FR) 2016-06-30 US disclosed
US-9309179-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA (FR) 2016-04-12 US disclosed
US-9309179-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA (FR) 2016-04-12 US disclosed
US-8722746-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA S.A.S. (FR) 2014-05-13 US disclosed
US-8722746-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA S.A.S. (FR) 2014-05-13 US disclosed
US-20100041658-A1 Hydroxyphenyl Derivatives and Biological Applications Thereof FAB PHARMA (FR) 2010-02-18 US disclosed
US-20100041658-A1 Hydroxyphenyl Derivatives and Biological Applications Thereof FAB PHARMA (FR) 2010-02-18 US disclosed
EP-2010495-A2 NEW HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF Mutabilis SA (FR) 2009-01-07 EP disclosed
WO-2007135562-A2 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS S.A. (FR) 2007-11-29 WO disclosed
WO-2007135562-A2 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS S.A. (FR) 2007-11-29 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 (2 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-20100041658-A1 Hydroxyphenyl Derivatives and Biological Applications Thereof HPD, HPGDS, EPX HSPB1 125/4885PTGS2 99/4885CYP19A1 931/4885
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF HPD, HPGDS, EPX HSPB1 125/4885PTGS2 99/4885CYP19A1 931/4885

“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.