SCHEMBL6402168

SCHEMBL6402168

CC(C)(C)[Si](C)(C)OCc1cc(=O)c(OCCCCCn2ccc3cc(Cl)ccc32)co1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.37
DUT P33316 1/20 0.36
MCL1 Q07820 7/20 0.33
BCL2 P10415 5/20 0.33
NR1H2 P55055 1/20 0.33
PPARA Q07869 1/20 0.33
NR1H3 Q13133 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HCRTR2 O43614 1/20 0.32
DGAT1 O75907 1/20 0.32
BCL2L1 Q07817 1/20 0.32
BAD Q92934 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
SCHEMBL6394349 0.84 RAB9A (0.41) ACLYMCL1HTR2AHTR2CBCL2L1
SCHEMBL6395794 0.80 ACLY (0.35) ACLY
SCHEMBL6402171 0.78 ACLY (0.37) ACLYMCL1BCL2NR1H2PPARA
SCHEMBL6260801 0.77 DUT (0.52) ACLYDUTMCL1BCL2HTR2A
SCHEMBL6400589 0.76 KMO (0.44) ACLYMCL1BCL2L1BAD
SCHEMBL4417971 0.75 ELANE (0.40)
SCHEMBL6402252 0.73 ELANE (0.43) MCL1BCL2L1BAD
SCHEMBL6394753 0.73 HTR7 (0.38) ACLYMCL1
SCHEMBL6398448 0.72 MEN1 (0.48) MCL1NR1H2PPARANR1H3HTR2A
SCHEMBL6393899 0.72 MCL1 (0.40) MCL1BCL2L1BAD

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-20050054629-A1 Compounds and methods of treating cell proliferative diseases EXONHIT THERAPEUTICS SA (FR) 2005-03-10 US disclosed
EP-1480966-A1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES Exonhit Therapeutics S.A. (FR) 2004-12-01 EP disclosed
WO-2003074508-A1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES EXONHIT THERAPEUTICS SA (FR) 2003-09-12 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 (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-20050054629-A1 Compounds and methods of treating cell proliferative diseases MKI67, CCNC, PCNA ACLY 1178/4885DUT 141/4885MCL1 29/4885

“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.