SCHEMBL382603

SCHEMBL382603

CC(=O)Nc1ccc(Br)cc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HTT P42858 2/20 0.49
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.42
HDAC1 Q13547 2/20 0.41
DYRK1A Q13627 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL16009246 0.86 PTGDR2 (0.49) ALDH1A1HTTGAAPTGDR2RAB9A
SCHEMBL38658497 0.85 ALDH1A1 (0.54) ALDH1A1HTTCA1CA2CA9
SCHEMBL2359710 0.85 ALDH1A1 (0.54) ALDH1A1HTTCA1CA2CA9
SCHEMBL15709745 0.83 SMN1; SMN2 (0.54) ALDH1A1HTTGAAPTGDR2RAB9A
SCHEMBL12445322 0.81 AAK1 (0.48) PTGDR2RAB9ANPC1POLBRBP4
SCHEMBL31218216 0.81 ALDH1A1 (0.51) ALDH1A1HTTGAATDP1CA1
SCHEMBL7223016 0.81 CYP2C9 (0.50) ALDH1A1HTTGAATDP1RAB9A
SCHEMBL13899455 0.81 ALDH1A1 (0.47) ALDH1A1HTTGAATDP1RAB9A
SCHEMBL7223569 0.81 ALDH1A1 (0.51) ALDH1A1HTTGAATDP1CA1
SCHEMBL6033054 0.80 POLB (0.53) ALDH1A1GAATDP1PTGDR2MAPT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed
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
EP-1680395-B1 NOVEL LIGAND ACTIVATING RAR RECEPTORS USED IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2011-05-25 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-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
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
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
US-4188342-A Ortho-bromination of ortho-alkylated anilines MONSANTO COMPANY (US) 1980-02-12 US 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 (4 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 4511/4885GAA 1990/4885
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG ALDH1A1 137/4885HTT 4567/4885GAA 2566/4885
US-20070004726-A1 Pharmaceutical/cosmetic compositions comprising novel ligands that activate RAR receptors RARA, RARG, RARB ALDH1A1 153/4885HTT 4510/4885GAA 1311/4885
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG ALDH1A1 137/4885HTT 4567/4885GAA 2566/4885

“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.