SCHEMBL2996673

SCHEMBL2996673

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)NCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA9 Q16790 4/20 0.40
TRPV1 Q8NER1 1/20 0.37
PREP P48147 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL17602140 0.89 HRH3 (0.45) HRH3CA12CA1CA9PREP
SCHEMBL6198684 0.80 MAPT (0.44) CA12CA1CA9MAPT
SCHEMBL15052448 0.77 ALDH1A1 (0.53) CA12CA1CA9TRPV1PREP
SCHEMBL1395133 0.77 HRH3 (0.52) HRH3PPARGPPARDPPARAACHE
SCHEMBL30471897 0.77 HRH3 (0.52) HRH3PPARGPPARDPPARAACHE
SCHEMBL14764579 0.76 MAOB (0.51) CA12CA1CA9
SCHEMBL27756620 0.73 PPARG (0.48) HRH3PPARGPPARDPPARATRPV1
SCHEMBL17785587 0.73 HRH3 (0.49) HRH3PPARGPPARDPPARATRPV1
SCHEMBL10911838 0.73 PPARG (0.50) HRH3PPARGPPARDPPARATRPV1
SCHEMBL1248073 0.72 PPARG (0.49) HRH3PPARGPPARDPPARAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3510107-A1 CELL-PENETRATING FLUORESCENT DYES WITH SECONDARY ALCOHOL FUNCTIONALITIES Max-Planck-Gesellschaft zur Förderung der Wissenschaften E.V. (DE) 2019-07-17 EP disclosed
WO-2018046753-A1 CELL-PENETRATING FLUORESCENT DYES WITH SECONDARY ALCOHOL FUNCTIONALITIES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2018-03-15 WO disclosed
EP-3293230-A1 CELL-PENETRATING FLUORESCENT DYES WITH SECONDARY ALCOHOL FUNCTIONALITIES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-03-14 EP disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 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-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH3 4/4885PPARG 1921/4885PPARD 1965/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH3 4/4885PPARG 1921/4885PPARD 1965/4885

“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.