SCHEMBL29318944

SCHEMBL29318944

C[n+]1cc2cccc(O[Si](C)(C)C(C)(C)C)c2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA9 Q16790 2/20 0.30

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
SCHEMBL17977220 0.74 ALDH1A1 (0.47) —
SCHEMBL29317050 0.73 NOS1 (0.51) —
SCHEMBL3870264 0.73 BCHE (0.48) CA12CA1CA9
SCHEMBL14862987 0.71 KCNA3 (0.47) —
SCHEMBL30556213 0.70 CA1 (0.38) CA12CA1CA9
SCHEMBL4724171 0.70 PLAU (0.44) CA12CA1CA9
SCHEMBL13171932 0.68 CYP1A2 (0.47) CA12CA1CA9
SCHEMBL9541397 0.67 LMNA (0.49) —
SCHEMBL13172038 0.67 ESR1 (0.41) —
SCHEMBL7200102 0.67 KDM4E (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239794-A1 PKC-Theta Modulators EXSCIENTIA AI LIMITED (GB) 2024-07-18 — — 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-20240239794-A1 PKC-Theta Modulators PRKCQ, PRKCH, PRKCZ CA12 3200/4885CA1 2119/4885CA9 4521/4885

“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.

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