SCHEMBL6334396

SCHEMBL6334396

COC(=O)C(=O)c1cn2c3c(cccc13)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
PARP1 P09874 1/20 0.32
SMYD2 Q9NRG4 3/20 0.32

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
SCHEMBL10123732 0.74 PARP1 (0.41) PARP1
SCHEMBL6329328 0.74 SMYD2 (0.37) GRM5GRM1SMYD2
SCHEMBL9951122 0.74 PARP1 (0.42) PARP1
SCHEMBL10123738 0.74 PARP1 (0.41) PARP1
SCHEMBL6326149 0.67 PARP1 (0.39) PARP1
SCHEMBL6326991 0.66 FKBP1A (0.33) PARP1
SCHEMBL9959202 0.65 PARP1 (0.40) PARP1
SCHEMBL2344849 0.65 PARP1 (0.44) PARP1
SCHEMBL3147204 0.64 CYP19A1 (0.38)
SCHEMBL6332910 0.64 PARP1 (0.41) PARP1

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-6867198-B2 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY (US) 2005-03-15 US disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 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-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 GRM5 4252/4885GRM1 3174/4885PARP1 516/4885

“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.