SCHEMBL5078619

SCHEMBL5078619

C/C=C(/C)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.60
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
NR1I2 O75469 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50

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
SCHEMBL5080817 1.00 NQO2 (0.60) NQO2PTGS1PTGS2CES2CES1
SCHEMBL5078621 1.00 NQO2 (0.60) NQO2PTGS1PTGS2CES2CES1
SCHEMBL14372143 0.87 NQO2 (0.49) NQO2PTGS1PTGS2CES2CES1
SCHEMBL16795629 0.82 NQO2 (0.56) NQO2PTGS1PTGS2CES2CES1
SCHEMBL8428783 0.82 NQO2 (0.56) NQO2PTGS1PTGS2CES2CES1
SCHEMBL1120697 0.82 NQO2 (0.56) NQO2PTGS1PTGS2CES2CES1
SCHEMBL989932 0.82 NQO2 (0.56) NQO2PTGS1PTGS2CES2CES1
SCHEMBL8428781 0.82 NQO2 (0.56) NQO2PTGS1PTGS2CES2CES1
SCHEMBL16795628 0.82 NQO2 (0.56) NQO2PTGS1PTGS2CES2CES1
SCHEMBL11414658 0.82 ESR1 (0.46) NQO2PTGS1PTGS2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240032422-A1 LIGHT-EMITTING MATERIAL, COMPOUND, LONG-PERSISTENT PHOSPHOR AND LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2024-01-25 US disclosed
US-11832516-B2 Light-emitting material, compound, long-persistent phosphor and light-emitting element KYULUX, INC. (JP) 2023-11-28 US disclosed
US-11778904-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-10-03 US disclosed
US-11778904-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-10-03 US disclosed
US-20230265106-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2023-08-24 US disclosed
US-20230212177-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2023-07-06 US disclosed
US-20230210000-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND LIGHT EMITTING DEVICE KYULUX, INC. (JP) 2023-06-29 US disclosed
US-20230143779-A1 ORGANIC SOLID-STATE LASER, COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-05-11 US disclosed
US-11575088-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-02-07 US disclosed
EP-3782977-A1 CYCLOPROPANATION METHOD AND REAGENT Fundació Privada Institut Català d'Investigació Química (ICIQ) (ES) 2021-02-24 EP disclosed
EP-1191030-B1 Phosphinite-oxazolines and metal complexes SOLVIAS AG (CH) 2005-05-04 EP disclosed
WO-2005021562-A2 PHOSPINITE-IMIDAZOLINES AND METAL COMPLEXES THEREOF SOLVIAS AG (CH) 2005-03-10 WO disclosed
US-6632954-B2 Chelate compounds SOLVIAS AG (CH) 2003-10-14 US disclosed
US-6498256-B2 CATALYSTS FOR ASYMMETRIC ADDITION REACTIONS, FOR EXAMPLE OF HYDROGEN, TO PROCHIRAL UNSATURATED ORGANIC COMPOUNDS. SOLVIAS AG (CH) 2002-12-24 US disclosed
US-20020128486-A1 Phosphinite-oxazolines and metal complexes PFALTZ ANDREAS (CH) 2002-09-12 US disclosed
US-20020062027-A1 Phosphinite-oxazolines and metal complexes SOLVIAS AG (CH) 2002-05-23 US disclosed
EP-1191030-A2 Phosphinite-oxazolines and metal complexes Solvias AG (CH) 2002-03-27 EP disclosed
EP-0707656-B1 BIOTECHNOLOGICAL PROCESS FOR PRODUCING ALCOHOLS, ALDEHYDES AND CARBOXYLIC ACIDS BASF AG (DE) 1998-09-02 EP disclosed
US-5491233-A Catalytic asymmetric reduction of trisubstituted olefins MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1996-02-13 US disclosed
US-5442119-A Catalytic asymmetric reduction of trisubstituted olefins MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1995-08-15 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 (10 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-20240032422-A1 LIGHT-EMITTING MATERIAL, COMPOUND, LONG-PERSISTENT PHOSPHOR AND LIGHT-EMITTING ELEMENT NR2E3, CRY1, ESR1 NQO2 2990/4885PTGS1 1742/4885PTGS2 2037/4885
US-20230265106-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT CRY1, CCNE2, CRY2 NQO2 1364/4885PTGS1 1970/4885PTGS2 1387/4885
US-20230143779-A1 ORGANIC SOLID-STATE LASER, COMPOUND AND USE THEREOF LEF1, CCNT1, CCNT2 NQO2 1892/4885PTGS1 478/4885PTGS2 507/4885
US-11778904-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 NQO2 467/4885PTGS1 2993/4885PTGS2 1855/4885
US-20230210000-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND LIGHT EMITTING DEVICE DRD1, DRD2, DRD3 NQO2 1345/4885PTGS1 2468/4885PTGS2 1995/4885
US-20020062027-A1 Phosphinite-oxazolines and metal complexes OXER1, OXGR1, H1-4 NQO2 3726/4885PTGS1 1227/4885PTGS2 2401/4885
US-11575088-B2 Composition of matter for use in organic light-emitting diodes CRY2, CYBA, ALDH1A2 NQO2 776/4885PTGS1 3112/4885PTGS2 2226/4885
US-20020128486-A1 Phosphinite-oxazolines and metal complexes OXER1, OXGR1, H1-4 NQO2 3726/4885PTGS1 1227/4885PTGS2 2401/4885
US-20230212177-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT CRY1, CRY2, NR2E3 NQO2 2306/4885PTGS1 1689/4885PTGS2 1472/4885
US-11832516-B2 Light-emitting material, compound, long-persistent phosphor and light-emitting element NR2E3, CRY1, ESR1 NQO2 2990/4885PTGS1 1742/4885PTGS2 2037/4885

“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.