SCHEMBL13069640

SCHEMBL13069640

Fc1ccc2c(-c3ccc(OC(F)(F)F)cc3)noc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
ESR2 Q92731 4/20 0.47
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43
EPHX2 P34913 2/20 0.41
DPP4 P27487 1/20 0.40
TRPA1 O75762 3/20 0.40
SCN5A Q14524 2/20 0.39
RAB9A P51151 1/20 0.39
SCN9A Q15858 1/20 0.39
GPR3 P46089 1/20 0.38

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
SCHEMBL5374898 0.83 MAOB (0.52) ESR1ESR2RAB9A
SCHEMBL13070033 0.81 ESR1 (0.50) ESR1ESR2EPHX2RAB9A
SCHEMBL5378603 0.78 ESR1 (0.76) ESR1ESR2
SCHEMBL13069910 0.78 ESR1 (0.53) ESR1ESR2DRD2HTR2AHTR7
SCHEMBL14081509 0.78 ESR1 (0.53) ESR1ESR2RAB9A
SCHEMBL5365388 0.77 LSS (0.44) ESR1ESR2DRD2HTR2AHTR6
SCHEMBL13588378 0.77 ESR1 (0.51) ESR1ESR2
SCHEMBL13069526 0.77 ESR1 (0.49) ESR1ESR2DRD2
SCHEMBL5368893 0.76 LSS (0.46) ESR1ESR2DRD2HTR2AHTR6
SCHEMBL8801411 0.76 ESR1 (0.50) ESR1ESR2EPHX2

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
EP-1796665-B1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK SHARP & DOHME (US) 2010-11-17 EP disclosed
US-7629372-B2 Compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7629372-B2 Compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders MERCK & CO., INC. (US) 2008-02-14 US disclosed
US-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders MERCK & CO., INC. (US) 2008-02-14 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 (1 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-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders LIPA, APOB, LCAT ESR1 4422/4885ESR2 2327/4885DRD2 3424/4885

“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.