SCHEMBL6329328

SCHEMBL6329328

CC(C)(C)[Si](OCC1CCn2ccc3cccc1c32)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.37
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
DRD2 P14416 1/20 0.32
SLC6A4 P31645 1/20 0.32
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 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
SCHEMBL6334396 0.74 GRM5 (0.34) SMYD2GRM5GRM1
SCHEMBL6335783 0.70 BCHE (0.39) SMYD2GRM5GRM1
SCHEMBL2914349 0.68 RIPK1 (0.41) SMYD2GRM5GRM1
SCHEMBL23670531 0.67 SMYD2 (0.43) SMYD2GRM5GRM1
SCHEMBL29552957 0.67 SMYD2 (0.43) SMYD2GRM5GRM1
SCHEMBL19285174 0.67 SMYD2 (0.43) SMYD2GRM5GRM1
SCHEMBL10380887 0.66 SMYD2 (0.39) SMYD2
SCHEMBL3143701 0.66 CMA1 (0.39) SMYD2
SCHEMBL22554979 0.65 SMYD2 (0.40) SMYD2GRM5GRM1
SCHEMBL25906381 0.65 CHRNB2 (0.50)

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 5 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-6743785-B2 KINASE INHIBITORS; ANNULATED PYRROLE AND INDOLE RINGS; PYRROLO (3,2,1-HI)INDOLES; 3-(5,5-DIMETHYL-5,6-DIHYDRO-4H-PYRROLO (3,2,1-IJ)QUINOLIN-1-YL)-4-(1,2,3,4-TETRAHYDRO-(1,4) DIAZEPINO(6,7,1-HI)INDOL-7-YL)-PYRROLE-2,5-DIONE ELI LILLY AND COMPANY 2004-06-01 US disclosed
EP-1250334-B1 Medicaments useful for the treatment of proliferative diseases LILLY CO ELI (US) 2004-05-19 EP disclosed
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-12-11 US disclosed
US-20030092676-A1 Agents and method for the treatment of proliferative diseases ELI LILLY AND COMPANY 2003-05-15 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-20030092676-A1 Agents and method for the treatment of proliferative diseases MKI67, CDKN1A, CDK4 SMYD2 1618/4885GRM5 3856/4885GRM1 3202/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 SMYD2 1826/4885GRM5 4252/4885GRM1 3174/4885

“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.