SCHEMBL6030607

SCHEMBL6030607

CC(C)(C)[Si](C)(C)OC(CCCl)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
RIPK1 Q13546 2/20 0.35
SLC6A4 P31645 7/20 0.34
CYP2D6 P10635 5/20 0.31
CYP1A2 P05177 4/20 0.31
CYP3A4 P08684 4/20 0.31
HRH3 Q9Y5N1 3/20 0.31
CYP2C19 P33261 3/20 0.31
TSHR P16473 3/20 0.31
KMT2A Q03164 3/20 0.31
NPC1 O15118 2/20 0.31
MTOR P42345 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 2/20 0.31
TP53 P04637 2/20 0.31
ALOX15 P16050 2/20 0.31
THPO P40225 2/20 0.31
LMNA P02545 2/20 0.31
CHRM1 P11229 2/20 0.31
ADRA2B P18089 2/20 0.31

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
SCHEMBL6630569 0.92 RIPK1 (0.45) CA2RIPK1LMNAKCNH2KDM4E
SCHEMBL27933551 0.84 CA2 (0.36) CA2SLC6A4SLC6A2
SCHEMBL21280529 0.84 CA2 (0.37) CA2RIPK1SLC6A4CYP2D6CYP1A2
SCHEMBL13871075 0.84 RIPK1 (0.39) CA2RIPK1SLC6A4CHRM1ADRA2B
SCHEMBL5500512 0.83 CA2 (0.41) CA2RIPK1SLC6A4HTR2AHRH1
SCHEMBL8694969 0.81 CA2 (0.49) CA2HTR2ASIGMAR1
SCHEMBL14984000 0.80 GSR (0.44) CA2RIPK1SLC6A4LMNASLC6A2
SCHEMBL3386536 0.80 TAAR1 (0.41) CA2SLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL3386613 0.80 TAAR1 (0.41) CA2SLC6A4SLC6A2HTR2ASLC6A3
SCHEMBL3386535 0.80 TAAR1 (0.41) CA2SLC6A4SLC6A2HTR2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275035-A1 Nitroimidazole Compounds JIRICEK JAN 2008-11-06 US disclosed
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
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 WO 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-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 CA2 4232/4885RIPK1 2996/4885SLC6A4 4731/4885
US-20080275035-A1 Nitroimidazole Compounds NQO2, NQO1, MT-ND2 CA2 3769/4885RIPK1 4520/4885SLC6A4 3367/4885

“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.