SCHEMBL6334151

SCHEMBL6334151

CC(C)[Si](OCCc1cccc2cc[nH]c12)(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
BCHE P06276 3/20 0.37
AHR P35869 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
REN P00797 1/20 0.33
KEAP1 Q14145 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL6031101 0.79 HTR2A (0.37) HTR2AHTR2CBCHEAHRHTR1A
SCHEMBL1452618 0.73 AHR (0.47) HTR2AHTR2CBCHEAHRREN
SCHEMBL14833892 0.72 KEAP1 (0.44) HTR2AHTR2CBCHEAHRMAPK8
SCHEMBL2265462 0.72 NR3C1 (0.47) HTR2AHTR2CBCHEAHRMAPK8
SCHEMBL1692142 0.72 GABRA1 (0.47) HTR2AHTR2CBCHEAHRKEAP1
SCHEMBL6028985 0.71 DUT (0.37) HTR2AHTR2CAHRHTR1AHTR1D
SCHEMBL3790923 0.70 AHR (0.44) HTR2AHTR2CBCHEAHRREN
SCHEMBL1253323 0.70 AHR (0.47) HTR2AAHRKEAP1
SCHEMBL2262208 0.70 AHR (0.47) HTR2AHTR2CBCHEAHRMAPK8
SCHEMBL34463040 0.70 AHR (0.47) HTR2AAHRKEAP1

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 HTR2A 4207/4885HTR2C 4329/4885BCHE 4528/4885
US-20030229026-A1 Agents and methods for the treatment of proliferative diseases MKI67, CDKN1A, CDK1 HTR2A 4336/4885HTR2C 4346/4885BCHE 4678/4885

“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.