SCHEMBL19698945

SCHEMBL19698945

CC(C)(C)[Si](C)(C)Oc1ccc(C2(O)CCC2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
PRKAB2 O43741 2/20 0.34
PRKAG1 P54619 2/20 0.34
PRKAA2 P54646 2/20 0.34
PRKAA1 Q13131 2/20 0.34
PRKAG3 Q9UGI9 2/20 0.34
PRKAG2 Q9UGJ0 2/20 0.34
PRKAB1 Q9Y478 2/20 0.34
PREP P48147 3/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL30775155 0.85 CA12 (0.37) CA12CA1CA9PREPHSP90AA1
SCHEMBL19689521 0.85 CA12 (0.37) CA12CA1CA9PREPHSP90AA1
Hydrochloric Acid SCHEMBL29489583 0.84 CA12 (0.36) CA12CA1CA9PREPHSP90AA1
Hydrochloric Acid SCHEMBL19690213 0.84 CA12 (0.36) CA12CA1CA9PREPHSP90AA1
SCHEMBL22320341 0.80 CA12 (0.39) CA12CA1CA9PREPHSP90AA1
SCHEMBL16460254 0.79 CA12 (0.36) CA12CA1CA9PREP
SCHEMBL29736070 0.78 MET (0.37) CA12CA1CA9PREP
SCHEMBL19689482 0.78 MET (0.37) CA12CA1CA9PREP
SCHEMBL16460312 0.76 CA12 (0.39) CA12CA1CA9PREP
SCHEMBL29589281 0.74 FFAR4 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739065-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2023-08-29 US disclosed
US-20170355685-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2017-12-14 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 (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-11739065-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 CA12 4661/4885CA1 4307/4885CA9 4851/4885
US-20170355685-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 CA12 4661/4885CA1 4307/4885CA9 4851/4885

“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.