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)
SCHEMBL3870264 0.73 BCHE (0.48) CA12CA1CA9
SCHEMBL29317050 0.73 NOS1 (0.51)
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.