SCHEMBL12424007

SCHEMBL12424007

CC(C)(C)[Si](C)(C)Oc1ccc2c(CC(C#N)c3ccccc3)noc2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.37
PPARD Q03181 11/20 0.37
PPARA Q07869 11/20 0.37
ACHE P22303 3/20 0.37
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
GRM4 Q14833 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
SCHEMBL4401177 0.81 MAPT (0.39) ACHEPRMT5WDR77GRM4
SCHEMBL4402156 0.78 ESR1 (0.44) ACHE
SCHEMBL2199302 0.76 CA12 (0.46) PPARGPPARDPPARAACHECA12
SCHEMBL2200446 0.74 ESR1 (0.43)
SCHEMBL2201085 0.70 CA12 (0.49) PPARGPPARDPPARACA12CA1
SCHEMBL9127265 0.66 ESR2 (0.47)
SCHEMBL6599554 0.65 GHSR (0.34)
SCHEMBL1940345 0.62 ACHE (0.45) ACHE
SCHEMBL7094489 0.62 LMNA (0.36) CA12CA1CA9
SCHEMBL9700930 0.62 PREP (0.40) CA12CA1CA9

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-7977364-B2 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERMAMEX (MC) 2011-07-12 US disclosed
US-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents LABORATOIRE THERAMEX (FR) 2009-01-22 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-20090023779-A1 Indazoles, benzisoxazoles and benzisothiazoles and their use as estrogenic agents ESR1, ESR2, GPER1 PPARG 75/4885PPARD 109/4885PPARA 212/4885

“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.