SCHEMBL381583

SCHEMBL381583

CCOC(=O)c1ccc(-c2ccc(CCCBr)c(-c3ccc(N(CC)C(C)=O)c(C(C)(C)C)c3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 13/20 0.68
RARB P10826 13/20 0.68
RARG P13631 13/20 0.68
PDK2 Q15119 2/20 0.35
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL381768 0.92 RARG (0.80) RARARARBRARGPDK2
SCHEMBL382277 0.90 RARA (0.66) RARARARBRARGPDK2
SCHEMBL13195884 0.87 RARG (0.67) RARARARBRARGPDK2RAB9A
SCHEMBL382131 0.86 RARG (0.82) RARARARBRARGPDK2MAPT
SCHEMBL383118 0.85 RARA (0.59) RARARARBRARGPDK2NPC1
SCHEMBL381699 0.84 RARB (0.57) RARARARBRARGPDK2
SCHEMBL382630 0.82 RARG (0.79) RARARARBRARGPDK2
SCHEMBL381907 0.81 RARA (0.66) RARARARBRARGPDK2
SCHEMBL382095 0.81 RARG (1.00) RARARARBRARG
SCHEMBL382041 0.80 RARG (0.82) RARARARBRARG

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 9 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
EP-1831149-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-12 EP disclosed
WO-2006066978-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS, AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-29 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 (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 RARA 2/4885RARB 1/4885RARG 3/4885
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG RARA 2/4885RARB 1/4885RARG 3/4885
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG RARA 2/4885RARB 1/4885RARG 3/4885

“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.