SCHEMBL13486334

SCHEMBL13486334

CCCCOc1cc(CC)ccc1Oc1ccc(NCCCN)cc1F

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
GLA P06280 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MET P08581 4/20 0.39
KAT2B Q92831 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 1/20 0.37
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
AXL P30530 1/20 0.36

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
SCHEMBL14386877 0.94 BRD4 (0.42) BRD4GLASMN1; SMN2METS1PR2
SCHEMBL13486325 0.90 MET (0.40) BRD4METS1PR2S1PR1S1PR3
SCHEMBL13486336 0.89 MET (0.41) BRD4METS1PR2S1PR1S1PR3
SCHEMBL13486208 0.86 MAPT (0.42) BRD4SMN1; SMN2
SCHEMBL13486339 0.85 MTNR1B (0.44) MET
SCHEMBL13486354 0.85 MAPK8 (0.43) BRD4METS1PR2S1PR1S1PR3
SCHEMBL13486329 0.81 CYP3A4 (0.44) BRD4
SCHEMBL13486324 0.81 GLA (0.45) GLASMN1; SMN2AXL
SCHEMBL3200212 0.78 ALDH1A1 (0.42) SMN1; SMN2AXL
SCHEMBL3201304 0.76 MAPT (0.44) BRD4SMN1; SMN2

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 BRD4 2418/4885GLA 414/4885SMN1; SMN2 4582/4885
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF HPD, HPGDS, EPX BRD4 2418/4885GLA 414/4885SMN1; SMN2 4582/4885

“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.