SCHEMBL3265801

SCHEMBL3265801

C=Cc1cc(OC)c(Oc2ccc([N+](=O)[O-])cc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.51
TLR9 Q9NR96 1/20 0.46
PTGS2 P35354 3/20 0.45
CYP19A1 P11511 1/20 0.45
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDGFRA P16234 1/20 0.41
KDR P35968 1/20 0.41
HTT P42858 2/20 0.40
PTGS1 P23219 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
PRKDC P78527 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL4564439 0.81 HSPB1 (0.58) HSPB1TLR9PTGS2CYP19A1ALDH1A1
SCHEMBL4229566 0.81 HSPB1 (0.55) HSPB1TLR9PTGS2CYP19A1ALDH1A1
SCHEMBL13915781 0.76 HSPB1 (0.71) HSPB1TLR9PTGS2CYP19A1ALDH1A1
SCHEMBL13915777 0.76 HSPB1 (0.71) HSPB1TLR9PTGS2CYP19A1ALDH1A1
SCHEMBL13538090 0.76 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL21981233 0.76 ALDH1A1 (0.47) CYP19A1ALDH1A1MAPTLMNAKDM4E
SCHEMBL310109 0.76 ALDH1A1 (0.51) CYP19A1ALDH1A1MAPTLMNAKDM4E
SCHEMBL3210902 0.75 HTT (0.44) ALDH1A1MAPTHTTKDM4EMEN1
SCHEMBL25356037 0.74 HSPB1 (0.58) HSPB1TLR9PTGS2CYP19A1ALDH1A1
SCHEMBL13915773 0.74 TLR9 (0.59) HSPB1TLR9PTGS2CYP19A1ALDH1A1

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 15 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-9309179-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA (FR) 2016-04-12 US disclosed
US-20140213589-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF FAB PHARMA S.A.S. (FR) 2014-07-31 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-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
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 (3 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-20140213589-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF HPD, HPGDS, EPX HSPB1 125/4885TLR9 1247/4885PTGS2 99/4885
US-20100041658-A1 Hydroxyphenyl Derivatives and Biological Applications Thereof HPD, HPGDS, EPX HSPB1 125/4885TLR9 1247/4885PTGS2 99/4885
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF HPD, HPGDS, EPX HSPB1 125/4885TLR9 1247/4885PTGS2 99/4885

“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.