SCHEMBL1092540

SCHEMBL1092540

CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 12/20 0.34
NR1H3 Q13133 11/20 0.34
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
GRM5 P41594 1/20 0.32
PDE5A O76074 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31

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
SCHEMBL1091964 0.87 NR1H2 (0.33) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1092346 0.87 NR1H2 (0.35) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1092048 0.84 NR1H2 (0.34) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1091756 0.82 NR1H2 (0.34) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13601369 0.81 NR1H2 (0.38) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1092448 0.81 NR1H2 (0.38) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1253786 0.80 SLC6A4 (0.48) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1092310 0.80 NR1H2 (0.36) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1091876 0.79 HPGD (0.35) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1092462 0.79 KDM4E (0.38) NR1H2NR1H3PPARGPPARDPPARA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 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-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR NR1H2 1/4885NR1H3 2/4885PPARG 384/4885

“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.