SCHEMBL382163

SCHEMBL382163

CCOC(=O)c1ccc(-c2ccc(OCCCO[Si](C)(C)C(C)(C)C)cc2)cc1-c1ccc(N2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
KCNH2 Q12809 1/20 0.43
SIRT2 Q8IXJ6 3/20 0.41
SIRT1 Q96EB6 2/20 0.41
MAPT P10636 6/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH2 P25021 3/20 0.37
HRH1 P35367 3/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL381962 0.85 RARA (0.44) SIRT2SIRT1HSD17B10MAPK1
SCHEMBL382430 0.84 RARG (0.48) HRH3KCNH2SIRT2SIRT1
SCHEMBL382380 0.83 RARB (0.42) HRH3KCNH2MAPTKMT2AMEN1
SCHEMBL382090 0.78 RARA (0.48) HRH3KCNH2LMNAHSD17B10NPC1
SCHEMBL382994 0.74 RARA (0.51) HRH3KCNH2LMNAHSD17B10NPC1
SCHEMBL383282 0.74 RARA (0.46) SIRT2SIRT1MAPTKMT2AMEN1
SCHEMBL4576210 0.73 RARA (0.61) HRH3KCNH2HRH2HRH1NPSR1
SCHEMBL382484 0.73 RARG (0.63) HRH3KCNH2SIRT2SIRT1MAPT
SCHEMBL5249256 0.72 SIRT2 (0.38) SIRT2SIRT1MAPTKMT2AMEN1
SCHEMBL382829 0.71 RARG (0.65) HRH3KCNH2SIRT2SIRT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831149-B1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2012-01-25 EP disclosed
US-20080015246-A1 Novel ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-17 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-20080015246-A1 Novel ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof RARB, RARA, RARG HRH3 770/4885KCNH2 4786/4885SIRT2 1577/4885

“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.