SCHEMBL103413

SCHEMBL103413

CC=Cc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(Cc2ccccc2)C(C)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
HRH2 P25021 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
GSK3B P49841 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM4 P08173 1/20 0.32
NR1H2 P55055 4/20 0.32
NR1H3 Q13133 4/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL103412 1.00 PPARG (0.35) PPARGPPARDPPARACHRM2CHRM1
SCHEMBL103411 1.00 PPARG (0.35) PPARGPPARDPPARACHRM2CHRM1
SCHEMBL103126 0.84 PDK1 (0.41) PPARGPPARDPPARACHRM2CHRM1
SCHEMBL103125 0.84 PDK1 (0.41) PPARGPPARDPPARACHRM2CHRM1
SCHEMBL106509 0.79 MEN1 (0.39)
SCHEMBL106508 0.79 MEN1 (0.39)
SCHEMBL103345 0.76 GSK3B (0.40) PDK1PDK2PDK3PDK4GSK3B
SCHEMBL103346 0.76 GSK3B (0.40) PDK1PDK2PDK3PDK4GSK3B
SCHEMBL103344 0.76 GSK3B (0.40) PDK1PDK2PDK3PDK4GSK3B
SCHEMBL104178 0.75 NPC1 (0.43) HRH2GSK3BLMNA

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
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 PPARG 128/4885PPARD 356/4885PPARA 240/4885

“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.