SCHEMBL822673

SCHEMBL822673

Cn1c(-c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 2/20 0.68
NQO2 P16083 1/20 0.53
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
NPC1 O15118 1/20 0.47
ALOX12 P18054 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 3/20 0.45
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL715059 0.86 PCSK9 (0.55) PCSK9NQO2KMT2ACYP1A2CYP3A4
SCHEMBL28605628 0.86 ALDH1A1 (0.58) PCSK9NQO2KMT2ACYP1A2CYP3A4
SCHEMBL11888326 0.85 PCSK9 (0.53) PCSK9NQO2KMT2ACYP1A2CYP3A4
SCHEMBL29588739 0.83 CYP3A4 (0.52) PCSK9NQO2KMT2ACYP1A2CYP3A4
SCHEMBL15591050 0.82 PCSK9 (0.52) PCSK9NQO2KMT2ACYP1A2CYP3A4
SCHEMBL15591266 0.82 PCSK9 (0.52) PCSK9NQO2KMT2ACYP1A2CYP3A4
SCHEMBL715058 0.79 PCSK9 (0.49) PCSK9NQO2KMT2ACYP1A2CYP3A4
SCHEMBL14667460 0.79 PCSK9 (0.48) PCSK9NQO2KMT2ACYP1A2CYP3A4
SCHEMBL10939353 0.78 PCSK9 (0.47) PCSK9NQO2KMT2ACYP1A2CYP3A4
SCHEMBL6486776 0.78 NQO2 (0.50) PCSK9NQO2KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11189806-B2 Heteroleptic carbene complexes and the use thereof in organic electronics UDC IRELAND LIMITED (IE) 2021-11-30 US disclosed
US-20210126207-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS UDC IRELAND LTD (IE) 2021-04-29 US disclosed
EP-3052229-B1 IMMOBILIZED METATHESIS TUNGSTEN OXO ALKYLIDENE CATALYSTS AND USE THEREOF IN OLEFIN METATHESIS VERBIO VER BIOENERGIE AG (DE) 2021-02-24 EP disclosed
US-10916716-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS UDC IRELAND LIMITED (IE) 2021-02-09 US disclosed
US-20200373503-A1 HETEROLEPTIC CARBENE COMPLEXES AND THE USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2020-11-26 US disclosed
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 EP disclosed
EP-2393819-B9 SILYL AND HETEROATOM SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZO PHOSPHOLES AND THE APPLICATION THEREOF IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2017-12-27 EP disclosed
US-9850268-B2 Metathesis catalysts and methods thereof TRUSTEES OF BOSTON COLLEGE (US) 2017-12-26 US disclosed
US-9701702-B2 Metathesis catalysts and methods thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-11 US disclosed
EP-2393819-B1 SILYL AND HETEROATOM SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZO PHOSPHOLES AND THE APPLICATION THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2017-01-25 EP disclosed
EP-1626999-B1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS EXXONMOBIL CHEM PATENTS INC (US) 2007-09-26 EP disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 US disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 US disclosed
EP-1288710-A1 Thermally developable infrared sensitive imaging materials containing heat-bleachable antihalation composition EASTMAN KODAK COMPANY (US) 2003-03-05 EP disclosed
US-6514677-B1 Thermally developable infrared sensitive imaging materials containing heat-bleachable antihalation composition EASTMAN KODAK COMPANY 2003-02-04 US disclosed
US-5676884-A Nonlinear optical materials containing polar disulfone-functionalized molecules MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-14 US disclosed
US-5578251-A NONLINEAR-OPTICAL RESPONSE; ALKYLATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-26 US disclosed
US-5360582-A Compositions with polymers for light sensitive elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-01 US disclosed
EP-0594697-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-04 EP disclosed
WO-1993002383-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-04 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-20210126207-A1 Metal Complexes Comprising Diazabenzmidazolocarbene Ligands and the Use Thereof in OLEDS OCIAD1, OCIAD2, DRD2 PCSK9 4362/4885NQO2 3261/4885KMT2A 4549/4885
US-20200373503-A1 HETEROLEPTIC CARBENE COMPLEXES AND THE USE THEREOF IN ORGANIC ELECTRONICS OCIAD2, OCIAD1, CLTB PCSK9 4824/4885NQO2 2152/4885KMT2A 2077/4885
US-11189806-B2 Heteroleptic carbene complexes and the use thereof in organic electronics OCIAD2, OCIAD1, CLTB PCSK9 4824/4885NQO2 2152/4885KMT2A 2077/4885
US-10916716-B2 Metal complexes comprising diazabenzmidazolocarbene ligands and the use thereof in OLEDS OCIAD1, OCIAD2, DRD2 PCSK9 4362/4885NQO2 3261/4885KMT2A 4549/4885

“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.