SCHEMBL1678725

SCHEMBL1678725

C1CCC([N]C2CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 3/20 0.43
SIGMAR1 Q99720 3/20 0.36
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.30

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
SCHEMBL1679055 1.00 EPHX1 (0.47) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL1679057 1.00 EPHX1 (0.47) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL49195 0.96 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL7647781 0.96 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL2917831 0.96 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL49353 0.96 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL819653 0.96 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL7644168 0.96 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL1678970 0.96
SCHEMBL49819 0.92 EPHX1 (0.44) EPHX1HIF1AALDH1A1SIGMAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-0796248-B1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS WESTERN THERAPEUTICS INST D (JP) 2001-08-16 EP disclosed
US-6143763-A Carbostyril derivatives D. WESTERN THERAPEUTICS INSTITIUTE (JP) 2000-11-07 US disclosed
CN-1172478-A Quinolone derivative antithrombotic agent OTSUKA PHARMA CO LTD (JP) 1998-02-04 CN disclosed
EP-0796248-A1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-24 EP disclosed
WO-1997012869-A1 CARBOSTYRIL DERIVATIVES AS ANTITHROMBOTIC AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-10 WO disclosed
US-5204353-A 3-benzyl-3H-1,2,3-triazolo[4,5-d]pyrimidines, compositions thereof, and method of treating epilepsy therewith CIBA-GEIGY CORPORATION (US) 1993-04-20 US disclosed
EP-0288431-B1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed
US-5110818-A Antiepileptic agents CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed
EP-0363320-A2 Substituted 9H purine CIBA-GEIGY AG (CH) 1990-04-11 EP disclosed
EP-0288431-A1 3H-1,2,3-triazolo[4,5-d]pyrimidines CIBA-GEIGY AG (CH) 1988-10-26 EP 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI EPHX1 838/4885HIF1A 489/4885ALDH1A1 4330/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 EPHX1 3176/4885HIF1A 193/4885ALDH1A1 228/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 EPHX1 1845/4885HIF1A 1774/4885ALDH1A1 3512/4885

“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.