SCHEMBL381625

SCHEMBL381625

CCN(CC)c1ccc(B(O)O)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.39
CRHR1 P34998 5/20 0.38
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
AR P10275 4/20 0.35
S1PR1 P21453 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
TTR P02766 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL381769 0.85 RARA (0.39) LPLLIPGTTRCA1CA2
SCHEMBL12017815 0.76 CRHR1 (0.44) CRHR1ARS1PR1KDM4EALDH1A1
SCHEMBL382234 0.76 LPL (0.39) LPLLIPGTTRCA1CA2
SCHEMBL381497 0.75 LPL (0.42) LPLLIPGKDM4ETTRCA1
SCHEMBL1927873 0.75 GAA (0.50) CRHR1ARKDM4EMEN1NPC1
SCHEMBL382442 0.75 HRH4 (0.43) CRHR1ARKDM4EMEN1ALDH1A1
Water SCHEMBL27705830 0.73 CRHR1 (0.39) CRHR1ARS1PR1KDM4EMEN1
Water SCHEMBL27705828 0.73 CRHR1 (0.39) CRHR1ARS1PR1KDM4EMEN1
SCHEMBL16247253 0.73 CRHR1 (0.42) CRHR1ARALDH1A1
SCHEMBL3529075 0.73 HCAR3 (0.55) MEN1NPC1RAB9AKMT2A

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 11 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
CN-101087752-B Novel ligands that modulate RAR receptors, and use thereof in human medicine and in cosmetics GALDERMA RES & DEV 2011-11-16 CN 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
CN-101087752-A Novel ligands that modulate RAR receptors, and use thereof in human medicine and in cosmetics GALDERMA RES & DEV (FR) 2007-12-12 CN 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 MGLL 1267/4885CRHR1 1515/4885LPL 499/4885
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG MGLL 1877/4885CRHR1 1535/4885LPL 1157/4885
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG MGLL 1877/4885CRHR1 1535/4885LPL 1157/4885

“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.