SCHEMBL6028985

SCHEMBL6028985

CC(C)(C)[Si](C)(C)OCCCc1cccc2cc[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
AHR P35869 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
REN P00797 1/20 0.34
ANO1 Q5XXA6 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
DRD4 P21917 1/20 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
SCHEMBL6031101 0.92 HTR2A (0.37) DUTHTR2AHTR2CHTR1AHTR1D
SCHEMBL15902401 0.83 AHR (0.38) HTR2AHTR2CAHRNR3C1PGR
SCHEMBL24210724 0.81 HDAC1 (0.41) DUTHTR2AHTR2C
SCHEMBL15902673 0.79 SLC6A4 (0.40) DUTHTR1AHTR1BAHR
SCHEMBL26326723 0.78 AKR1B1 (0.40) DUT
SCHEMBL30923337 0.75 DUT (0.35) DUTHTR2A
SCHEMBL12634902 0.75 TAAR1 (0.41) DUTHTR2AHTR2C
SCHEMBL3790923 0.74 AHR (0.44) HTR2AHTR2CAHRNR3C1PGR
SCHEMBL5925736 0.73 KEAP1 (0.42) HTR2AHTR2CAHRNR3C1PGR
SCHEMBL23908432 0.72 DUT (0.37) DUT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 US disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 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-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 DUT 175/4885HTR2A 3584/4885HTR2C 2689/4885

“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.