SCHEMBL13486336

SCHEMBL13486336

CCCCOc1cc(CC)ccc1Oc1ccc(NCCO)cc1F

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.41
BRD4 O60885 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
FGFR2 P21802 1/20 0.38
FAAH O00519 1/20 0.38
SMPD1 P17405 1/20 0.37
IL6 P05231 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL13486325 0.94 MET (0.40) METBRD4S1PR2S1PR1S1PR3
SCHEMBL14386877 0.92 BRD4 (0.42) METBRD4S1PR2S1PR1S1PR3
SCHEMBL13486334 0.89 BRD4 (0.40) METBRD4S1PR2S1PR1S1PR3
SCHEMBL13486339 0.85 MTNR1B (0.44) METFAAH
SCHEMBL3209421 0.84 MAPT (0.45) BRD4
SCHEMBL13486354 0.83 MAPK8 (0.43) METBRD4S1PR2S1PR1S1PR3
SCHEMBL3208999 0.82
SCHEMBL3201304 0.81 MAPT (0.44) BRD4
SCHEMBL3198331 0.81 HTT (0.45)
SCHEMBL13486329 0.79 CYP3A4 (0.44) BRD4

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 5 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-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-20100041658-A1 Hydroxyphenyl Derivatives and Biological Applications Thereof FAB PHARMA (FR) 2010-02-18 US 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 MET 2642/4885BRD4 2418/4885S1PR2 3036/4885
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF HPD, HPGDS, EPX MET 2642/4885BRD4 2418/4885S1PR2 3036/4885

“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.