SCHEMBL104796

SCHEMBL104796

C[Si](c1ccccc1)(c1ccccc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.45
NR1H3 Q13133 4/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
ACHE P22303 2/20 0.34
HSD11B1 P28845 2/20 0.32
POLB P06746 1/20 0.32
KIF11 P52732 1/20 0.32
MAPT P10636 1/20 0.31
CES1 P23141 1/20 0.31
NR1I2 O75469 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ELANE P08246 1/20 0.31
PKM P14618 1/20 0.31
EPHX2 P34913 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
SCHEMBL103282 0.81 NR1H2 (0.37) NR1H2NR1H3ESR1ESR2TSHR
SCHEMBL29054459 0.79 NR1H2 (0.45) NR1H2NR1H3ESR1ESR2TSHR
SCHEMBL6013056 0.76 ESR1 (0.41) NR1H2NR1H3ESR1ESR2TSHR
SCHEMBL24433593 0.75 NR1H2 (0.42) NR1H2NR1H3ESR1ESR2TSHR
SCHEMBL1051334 0.72 ALDH1A1 (0.41) NR1H2NR1H3ESR1ESR2TSHR
SCHEMBL1053231 0.72 ALDH1A1 (0.41) NR1H2NR1H3ESR1ESR2TSHR
SCHEMBL1049841 0.72 ALDH1A1 (0.41) NR1H2NR1H3ESR1ESR2TSHR
SCHEMBL6931682 0.72 NR1H2 (0.44) NR1H2NR1H3ESR1ESR2TSHR
SCHEMBL21120517 0.72 ESR1 (0.38) NR1H2NR1H3ESR1ESR2ALDH1A1
SCHEMBL7145993 0.72 ESR1 (0.38) NR1H2NR1H3ESR1ESR2MAPT

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 11 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
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 EP 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 (3 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 NR1H2 1/4885NR1H3 2/4885ESR1 362/4885
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 NR1H2 1/4885NR1H3 2/4885ESR1 1176/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR NR1H2 1/4885NR1H3 2/4885ESR1 1307/4885

“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.