SCHEMBL13486209

SCHEMBL13486209

CCc1ccc(Oc2ccc(NCCCN3C(=O)c4ccccc4C3=O)cc2F)c(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RPS6KA2 Q15349 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
ACP1 P24666 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
SCHEMBL13486329 0.90 CYP3A4 (0.44) BRD4CYP3A4CYP2C9CYP2C19RPS6KA2
SCHEMBL13486208 0.84 MAPT (0.42) BRD4POLBMAPTTHRBKMT2A
SCHEMBL3201304 0.83 MAPT (0.44) BRD4ALDH1A1POLBMAPTTHRB
SCHEMBL3209421 0.81 MAPT (0.45) BRD4POLBMAPTTHRBKMT2A
SCHEMBL13486211 0.81 BRD4 (0.42) BRD4POLBMAPTTHRBKMT2A
SCHEMBL13486212 0.81 MTNR1A (0.53) BRD4POLBMAPTTHRB
SCHEMBL10703996 0.77 C5AR1 (0.44) CYP3A4CYP2C9CYP2C19POLBMAPT
SCHEMBL3211391 0.75 RAB9A (0.46) ALDH1A1MAPT
SCHEMBL13486218 0.75 BRD4 (0.47) BRD4ALDH1A1MAPT
SCHEMBL3198790 0.74 MGLL (0.47) BRD4ALDH1A1POLBMAPTTHRB

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 4 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

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 2418/4885CYP3A4 194/4885CYP2C9 418/4885
US-20160185724-A1 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF HPD, HPGDS, EPX BRD4 2418/4885CYP3A4 194/4885CYP2C9 418/4885

“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.