SCHEMBL381497

SCHEMBL381497

CCc1cc(B(O)O)ccc1N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.42
LIPG Q9Y5X9 5/20 0.42
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
ALDH1A3 P47895 1/20 0.37
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
HCAR3 P49019 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
TTR P02766 1/20 0.34
ENPP2 Q13822 1/20 0.34
ALDH3A1 P30838 1/20 0.33

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
SCHEMBL382234 0.80 LPL (0.39) LPLLIPGRARARARBRARG
SCHEMBL3790779 0.77 LPL (0.52) LPLLIPGCA2CA1ENPP2
SCHEMBL381769 0.76 RARA (0.39) LPLLIPGRARARARBRARG
SCHEMBL381625 0.75 MGLL (0.39) LPLLIPGKDM4ECA2CA1
SCHEMBL15542487 0.74 LPL (0.45) LPLLIPGKDM4ECA2CA1
SCHEMBL22683555 0.73 ESR1 (0.50) LPLLIPGCA2CA1ENPP2
SCHEMBL3082470 0.72 LPL (0.47) LPLLIPGCA2CA1ENPP2
SCHEMBL2413286 0.72 LPL (0.47) LPLLIPGKDM4ECA2CA1
SCHEMBL382103 0.72 ALDH1A3 (0.47) RARARARBRARGALDH1A3TP53
SCHEMBL6080870 0.72 PRKCI (0.47) RARARARBRARGALDH1A3TP53

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 LPL 499/4885LIPG 1521/4885RARA 2/4885
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG LPL 1157/4885LIPG 2250/4885RARA 2/4885
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG LPL 1157/4885LIPG 2250/4885RARA 2/4885

“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.