SCHEMBL3245844

SCHEMBL3245844

O=C([CH]c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 2/20 0.54
CYP1A1 P04798 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP1B1 Q16678 1/20 0.54
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL3249365 0.82 ATM (0.61) CYP1A2CYP2D6ALDH1A1MAPK1CYP1A1
SCHEMBL5651919 0.82 NR4A1 (0.55) CYP1A2CYP2D6ALDH1A1MAPK1CYP1A1
SCHEMBL979175 0.82 MAPT (0.77) CYP1A2CYP2D6ALDH1A1MAPK1CYP1A1
SCHEMBL29876093 0.82 MAPT (0.77) CYP1A2CYP2D6ALDH1A1MAPK1CYP1A1
SCHEMBL29419005 0.82 MAPT (0.77) CYP1A2CYP2D6ALDH1A1MAPK1CYP1A1
SCHEMBL9584082 0.82 MAPT (0.77) CYP1A2CYP2D6ALDH1A1MAPK1CYP1A1
SCHEMBL1086540 0.79 GRIN2D (0.53) CYP1A2CYP2D6ALDH1A1MAPK1CYP1A1
Benzoic Acid SCHEMBL18050268 0.78 HDAC8 (0.56) CYP1A2CYP2D6ALDH1A1MAPK1CYP1A1
SCHEMBL3245346 0.77 MTNR1A (0.57) CYP1A2CYP2D6ALDH1A1MAPK1CYP1A1
Benzoic Acid SCHEMBL27844693 0.76 NPC1 (0.54) CYP1A2CYP2D6ALDH1A1MAPK1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
CN-1208323-C Alpha-substituted carboxylic acid derivatives SANKYO CO (JP) 2005-06-29 CN disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
CN-1353694-A Alpha-substituted carboxylic acid derivatives SANKYO CO (JP) 2002-06-12 CN disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-5288604-A Containing sensitizing cyanine dye; high infrared sensitivity FUJI PHOTO FILM CO., LTD. (JP) 1994-02-22 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 (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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 CYP1A2 297/4885CYP2D6 601/4885ALDH1A1 28/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 CYP1A2 297/4885CYP2D6 601/4885ALDH1A1 28/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 CYP1A2 4073/4885CYP2D6 3704/4885ALDH1A1 2128/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 CYP1A2 4073/4885CYP2D6 3704/4885ALDH1A1 2128/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CYP1A2 1561/4885CYP2D6 2600/4885ALDH1A1 874/4885

“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.