SCHEMBL2011447

SCHEMBL2011447

Nc1cccc2c1COC=C2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PIK3CA P42336 1/20 0.30
PARP1 P09874 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
SCHEMBL5537612 0.76 PARP1 (0.33) ALDH1A1PARP1
SCHEMBL11662214 0.68 CYP3A4 (0.35) CD44CYP3A4TSHRALDH1A1HPGD
SCHEMBL2007998 0.68 ALDH1A1 (0.34) CD44CYP3A4TSHRALDH1A1HPGD
SCHEMBL6789771 0.66 PARP1 (0.39) TSHRPARP1
SCHEMBL15902739 0.66 PARP1 (0.39) TSHRPARP1
SCHEMBL846505 0.66 PARP1 (0.39) TSHRPARP1
SCHEMBL7650577 0.65 CD44 (0.36) CD44CYP3A4TSHRALDH1A1HPGD
Hydrochloric Acid SCHEMBL7655465 0.64 CD44 (0.35) CD44CYP3A4TSHRALDH1A1HPGD
Hydrochloric Acid SCHEMBL7656610 0.64 CD44 (0.35) CD44CYP3A4TSHRALDH1A1HPGD
Hydrochloric Acid SCHEMBL9670228 0.64 PARP1 (0.42) PARP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3637489-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-04-15 EP disclosed
EP-3617215-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-03-04 EP disclosed
CN-102190661-B Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD 2013-07-31 CN disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
CN-101437827-B Process for producing optically active chromene oxide compound NISSAN CHEMICAL IND LTD 2012-08-29 CN disclosed
CN-102190661-A Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD 2011-09-21 CN 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
CN-101636392-A Process for production of optically active epoxy compound NISSAN CHEMICAL IND LTD 2010-01-27 CN disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
CN-101437827-A Process for producing optically active chromene oxide compound NISSAN CHEMICAL IND LTD (JP) 2009-05-20 CN disclosed
CN-101429200-A Tricyclic benzopyran compound as anti-arrhythmic agents NISSAN CHEMICAL IND LTD (JP) 2009-05-13 CN 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
CN-1934116-A Tricyclic benzopyran compounds useful as antiarrhythmic agents NISSAN CHEMICAL IND LTD (JP) 2007-03-21 CN 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 CD44 4725/4885CYP3A4 131/4885TSHR 472/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE CD44 1637/4885CYP3A4 1006/4885TSHR 4171/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 CD44 4790/4885CYP3A4 5/4885TSHR 471/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A CD44 4756/4885CYP3A4 201/4885TSHR 855/4885

“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.