SCHEMBL381496

SCHEMBL381496

CCOC(=O)c1ccc(-c2ccc(OCCOC(C)=O)c(-c3ccc(N4CCCC4)c(C(C)(C)C)c3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARG P13631 12/20 0.68
RARA P10276 11/20 0.68
RARB P10826 11/20 0.68
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
PDK2 Q15119 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL381961 0.92 RARG (0.80) RARGRARARARBKCNH2HRH3
SCHEMBL23439863 0.92 RARG (0.66) RARGRARARARBKCNH2HRH3
SCHEMBL25747756 0.91 RARG (0.72) RARGRARARARB
SCHEMBL381872 0.90 RARG (0.80) RARGRARARARBKCNH2HRH3
SCHEMBL382029 0.90 RARG (0.83) RARGRARARARB
SCHEMBL23439861 0.90 RARG (0.62) RARGRARARARBKCNH2HRH3
SCHEMBL25747751 0.90 RARG (0.68) RARGRARARARBMAPT
SCHEMBL382160 0.90 RARG (0.81) RARGRARARARBKCNH2HRH3
SCHEMBL25040287 0.90 RARG (0.70) RARGRARARARBHRH3GAA
SCHEMBL382577 0.89 RARG (0.67) RARGRARARARBKCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470871-B2 Ligands that modulate RAR receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-06-25 US disclosed
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-11 US disclosed
US-8227507-B2 Ligands that modulate RAR receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-07-24 US disclosed
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-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-18 US disclosed
US-7807708-B2 Ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-05 US 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 (3 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 RARG 3/4885RARA 2/4885RARB 1/4885
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG RARG 3/4885RARA 2/4885RARB 1/4885
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG RARG 3/4885RARA 2/4885RARB 1/4885

“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.