SCHEMBL1038657

SCHEMBL1038657

O=CCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
ALDH1A1 P00352 2/20 0.33
AOX1 Q06278 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
Iodide SCHEMBL28416673 0.98 CYP3A4 (0.35) CYP3A4TDP1ADH1BADH1CADH1A
SCHEMBL11550852 0.87 HIF1A (0.36) CYP3A4TDP1ADH1BADH1CADH1A
SCHEMBL22458131 0.85 HIF1A (0.35) CYP3A4TDP1ADH1BADH1CADH1A
SCHEMBL18845437 0.84 TSHR (0.35) CYP3A4TDP1ADH1BADH1CADH1A
SCHEMBL4749847 0.77 CYP3A4 (0.36) CYP3A4TDP1ALDH1A1
SCHEMBL27343 0.77 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1
SCHEMBL6349486 0.76 TDP1 (0.39) CYP3A4TDP1ADH1BADH1CADH1A
Phosphine SCHEMBL25423478 0.75 CYP3A4 (0.47) CYP3A4TDP1ALDH1A1
SCHEMBL9803502 0.75 CYP3A4 (0.47) CYP3A4TDP1ALDH1A1
SCHEMBL22749137 0.75 CYP3A4 (0.47) CYP3A4TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080667-B2 Electroluminescent metal complexes with triazoles and benzotriazoles BASF SE (DE) 2011-12-20 US claimed
US-7820828-B2 Electroluminescent metal complexes with triazoles and benzotriazoles CIBA SPECIALTY CHEMICALS CORP. (US) 2010-10-26 US claimed
US-20100244014-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENZOTRIAZOLES UDC IRELAND LIMITED (IE) 2010-09-30 US claimed
CN-115135698-B Process for producing cyclic polysiloxane 信越化学工业株式会社 2024-04-26 CN disclosed
US-10167303-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex UDC IRELAND LIMITED (IE) 2019-01-01 US disclosed
EP-1893718-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENOTRIAZOLES UDC IRELAND LTD (IE) 2018-10-03 EP disclosed
EP-2802594-B1 METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
EP-1966343-B1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
US-20170044194-A1 Metal Complexes with Dibenzo[f,h]quinoxalines UDC IRELAND LTD (IE) 2017-02-16 US disclosed
CN-106165175-A High molecular electrolyte composition and use its polyelectrolyte membrane, film electrode composite element and polymer electrolyte fuel cell 东丽株式会社 2016-11-23 CN disclosed
US-9472762-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex UDC IRELAND LIMITED (IE) 2016-10-18 US disclosed
US-20040094769-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylprimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-05-20 US disclosed
US-20040089867-A1 Electroluminescent iridium compounds with fluorinated phenylpryidines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2004-05-13 US disclosed
US-6670645-B2 Bright, efficient, stable; increased volatility for lower temperature vacuum deposition preventing decomposition E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-30 US disclosed
WO-2003063555-A1 ELECTROLUMINESCENT IRIDIUM COMPOUNDS WIHT FLUORINATED PHENYLPYRIDINES, PHENYLPYRIMIDINES, AND PHENYLQUINOLINES AND DEVICES MADE WITH SUCH COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-07-31 WO disclosed
US-20030108771-A1 Electroluminescent platinum compounds and devices made with such compounds E.I. DU PONT DE NEMOURS AND COMPANY 2003-06-12 US disclosed
US-20030096138-A1 Electroluminescent iridium compounds having red-orange or red emission and devices made with such compounds LG CHEM, LTD. (KR) 2003-05-22 US disclosed
WO-2003040256-A2 ELECTROLUMINESCENT IRIDIUM COMPOUNDS HAVING RED-ORANGE OR RED EMISSION AND DEVICES MADE WITH SUCH COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-15 WO disclosed
WO-2003040257-A1 ELECTROLUMINESCENT PLATINUM COMPOUNDS AND DEVICES MADE WITH SUCH COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-05-15 WO disclosed
US-20020190250-A1 Electroluminescent iridium compounds with fluorinated phenylpyridines, phenylpyrimidines, and phenylquinolines and devices made with such compounds LG CHEM, LTD. (KR) 2002-12-19 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 (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-10167303-B2 Iridium organometallic complex containing a substituted dibenzo[f,h]quinoxaline and an electronic device having an emitting layer containing the iridium complex NDUFS5, DDT, NDUFV2 CYP3A4 152/4885TDP1 2226/4885ADH1B 121/4885
US-20100244014-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH TRIAZOLES AND BENZOTRIAZOLES OCIAD1, OXA1L, OCIAD2 CYP3A4 243/4885TDP1 2004/4885ADH1B 330/4885
US-20170044194-A1 Metal Complexes with Dibenzo[f,h]quinoxalines NDUFS2, OCIAD2, NDUFS3 CYP3A4 470/4885TDP1 3871/4885ADH1B 204/4885

“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.