SCHEMBL8416441

SCHEMBL8416441

CCCC[C](C)C(C)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.37
CES2 O00748 1/20 0.36
PSMB5 P28074 2/20 0.35
PLA2G2A P14555 2/20 0.33
PLA2G5 P39877 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
PLA2G10 O15496 2/20 0.33
CA1 P00915 3/20 0.32
MMP8 P22894 1/20 0.31
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
FAAH O00519 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL11126902 0.79 CES1 (0.40) CES1CES2ALDH1A1TP53CA1
SCHEMBL7116034 0.77 CA1 (0.43) CES1CES2ALDH1A1TP53CA1
SCHEMBL29384332 0.76 CES2 (0.44) CES1CES2PSMB5ALDH1A1TP53
SCHEMBL5489710 0.73 CA1 (0.50) CA1LMNAFAAH
SCHEMBL5484425 0.73 CA1 (0.50) CA1LMNAFAAH
SCHEMBL7269875 0.73 CES1 (0.32) CES1CES2PSMB5PLA2G2APLA2G5
SCHEMBL743494 0.73
SCHEMBL4653044 0.70 ALDH1A1 (0.41) ALDH1A1MAPK1
SCHEMBL20500817 0.70 CES2 (0.44) CES1CES2ALDH1A1LMNAMEN1
SCHEMBL8949780 0.70 CA1 (0.52) CES1CES2TP53CA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642614-B2 Toll-like receptor modulators and uses thereof THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2014-02-04 US disclosed
US-20120178774-A1 TOLL-LIKE RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-07-12 US disclosed
EP-0634450-B1 Polyether with releasably bound sterically hindered amines as stabilizing agents CIBA GEIGY AG (CH) 1999-09-08 EP disclosed
EP-0634450-A2 Polyether with releasably bound sterically hindered amines as stabilizing agents CIBA-GEIGY AG (CH) 1995-01-18 EP 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-20120178774-A1 TOLL-LIKE RECEPTOR MODULATORS AND USES THEREOF TLR4, TLR3, TLR1 CES1 4171/4885CES2 3069/4885PSMB5 1350/4885

“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.