SCHEMBL381965

SCHEMBL381965

CCN(CC)c1ccc(Br)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A3 P47895 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CCR5 P51681 1/20 0.40
RARA P10276 6/20 0.38
RARB P10826 6/20 0.38
RARG P13631 6/20 0.38
GBA1 P04062 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.34
RBP4 P02753 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL2098886 0.87 PTGDR2 (0.35) ALDH1A1HTTALDH1A3PTGDR2CCR5
SCHEMBL382442 0.84 HRH4 (0.43) ALDH1A1HTTALDH1A3CCR5GBA1
SCHEMBL2098379 0.79 PTGDR2 (0.40) ALDH1A1PTGDR2CCR5KDM4EGAA
SCHEMBL381832 0.77 RARA (0.47) ALDH1A1PTGDR2RARARARBRARG
SCHEMBL382259 0.75 ALDH1A1 (0.45) ALDH1A1HTTALDH1A3CCR5GBA1
SCHEMBL27338245 0.74 ALDH1A1 (0.45) ALDH1A1HTTALDH1A3CCR5GBA1
SCHEMBL381769 0.74 RARA (0.39) ALDH1A3RARARARBRARGHSP90AA1
SCHEMBL1864187 0.74 ALDH1A3 (0.61) ALDH1A1HTTALDH1A3RARARARB
SCHEMBL17047670 0.73 S100B (0.44) ALDH1A1HTTALDH1A3CCR5GBA1
SCHEMBL6832796 0.73 ALDH1A1 (0.44) ALDH1A1HTTALDH1A3CCR5GBA1

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 19 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
US-8163952-B2 RAR receptor agonist ligands and use thereof in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-04-24 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
EP-1680395-B1 NOVEL LIGAND ACTIVATING RAR RECEPTORS USED IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2011-05-25 EP disclosed
EP-2146951-B1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2010-12-01 EP disclosed
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-18 US disclosed
US-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-14 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-7439396-B2 Pharmaceutical/cosmetic compositions comprising novel ligands that activate RAR receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-10-21 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
US-20070004726-A1 Pharmaceutical/cosmetic compositions comprising novel ligands that activate RAR receptors GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2007-01-04 US disclosed
EP-1680395-A2 NOVEL LIGAND ACTIVATING RECEPTORS RARS USED FOR HUMAN MEDICINE AND COSMETICS Galderma Research & Development, S.N.C. (FR) 2006-07-19 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
WO-2005037772-A2 NOVEL LIGAND ACTIVATING RECEPTORS RARS USED FOR HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-04-28 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 (5 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 ALDH1A1 118/4885HTT 4511/4885ALDH1A3 63/4885
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG ALDH1A1 137/4885HTT 4567/4885ALDH1A3 73/4885
US-20070004726-A1 Pharmaceutical/cosmetic compositions comprising novel ligands that activate RAR receptors RARA, RARG, RARB ALDH1A1 153/4885HTT 4510/4885ALDH1A3 73/4885
US-20100261754-A1 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS RARA, RARB, RARG ALDH1A1 199/4885HTT 4004/4885ALDH1A3 120/4885
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG ALDH1A1 137/4885HTT 4567/4885ALDH1A3 73/4885

“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.