SCHEMBL2008458

SCHEMBL2008458

[NH]c1cccc2c1C=CCO2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.42
CYP1A2 P05177 7/20 0.37
CYP1A1 P04798 6/20 0.37
CYP1B1 Q16678 6/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 1/20 0.35
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL5541990 0.76 CYP2B6 (0.46) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL14653042 0.76 CYP2B6 (0.42) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL275271 0.76 CYP2B6 (0.46) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL5541390 0.76 CYP2B6 (0.42) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL8215841 0.76 CYP1A2 (0.46) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
Hydrochloric Acid SCHEMBL29164105 0.74 CYP2B6 (0.41) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL30291346 0.73 CYP2B6 (0.43) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL13113614 0.73 CYP2B6 (0.43) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL7667186 0.72 MTNR1A (0.39) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A
SCHEMBL2009226 0.72 CYP2B6 (0.43) CYP2B6CYP1A2CYP1A1CYP1B1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 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 (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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 CYP2B6 34/4885CYP1A2 365/4885CYP1A1 246/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE CYP2B6 1759/4885CYP1A2 1135/4885CYP1A1 1009/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 CYP2B6 30/4885CYP1A2 3/4885CYP1A1 6/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A CYP2B6 43/4885CYP1A2 385/4885CYP1A1 305/4885

“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.