SCHEMBL382103

SCHEMBL382103

CCc1cc(Br)ccc1N(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
CCR5 P51681 2/20 0.42
GBA1 P04062 1/20 0.40
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 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
SCHEMBL27686826 0.85 ALDH1A1 (0.41) ALDH1A3ALDH1A1HTTCCR5GBA1
SCHEMBL5361734 0.82 SMN1; SMN2 (0.38) ALDH1A3ALDH1A1CCR5MAPK1KDM4E
SCHEMBL382259 0.78 ALDH1A1 (0.45) ALDH1A3ALDH1A1HTTCCR5GBA1
SCHEMBL17047670 0.76 S100B (0.44) ALDH1A3ALDH1A1HTTCCR5GBA1
SCHEMBL21177435 0.76 CCR5 (0.49) ALDH1A3ALDH1A1HTTCCR5GBA1
SCHEMBL6080870 0.76 PRKCI (0.47) ALDH1A3ALDH1A1HTTMAPK1GAA
SCHEMBL6832796 0.76 ALDH1A1 (0.44) ALDH1A3ALDH1A1HTTCCR5GBA1
SCHEMBL27159155 0.76 ALDH1A1 (0.44) ALDH1A3ALDH1A1HTTCCR5GBA1
Hydrochloric Acid SCHEMBL9168202 0.74 ACHE (0.49) ALDH1A3ALDH1A1HTTMAPK1KDM4E
SCHEMBL3993729 0.74 CYP19A1 (0.43) ALDH1A1HTTMEN1GAAKMT2A

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 ALDH1A3 63/4885ALDH1A1 118/4885HTT 4511/4885
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG ALDH1A3 73/4885ALDH1A1 137/4885HTT 4567/4885
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG ALDH1A3 73/4885ALDH1A1 137/4885HTT 4567/4885

“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.