SCHEMBL900998

SCHEMBL900998

C/C(=C\c1ccc(O)cc1)c1ccc(N)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.81
ESR2 Q92731 5/20 0.81
PTGS1 P23219 8/20 0.62
PTGS2 P35354 5/20 0.62
NQO2 P16083 4/20 0.62
APP P05067 1/20 0.55
CYP19A1 P11511 2/20 0.53
ALDH1A1 P00352 2/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
CA6 P23280 1/20 0.50
CASP1 P29466 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL900961 1.00 ESR1 (0.81) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL900960 1.00 ESR1 (0.81) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL900999 1.00 ESR1 (0.81) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL900379 0.92 ESR1 (0.65) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL900378 0.92 ESR1 (0.65) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL375018 0.90 ESR1 (1.00) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL375017 0.90 ESR1 (1.00) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL9036138 0.90 ESR1 (1.00) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL9036145 0.90 ESR1 (1.00) ESR1ESR2PTGS1PTGS2NQO2
SCHEMBL7759808 0.90 ESR1 (1.00) ESR1ESR2PTGS1PTGS2NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866584-B2 High-refractive-index composition, high-refractive-index film, and method for manufacturing high-refractive-index film LG CHEM, LTD. (KR) 2024-01-09 US disclosed
US-20210095128-A1 HIGH-REFRACTIVE-INDEX COMPOSITION, HIGH-REFRACTIVE-INDEX FILM, AND METHOD FOR MANUFACTURING HIGH-REFRACTIVE-INDEX FILM LG CHEM, LTD. (KR) 2021-04-01 US disclosed
WO-2020060257-A1 HIGH-REFRACTIVE-INDEX COMPOSITION, HIGH-REFRACTIVE-INDEX FILM, AND METHOD FOR MANUFACTURING HIGH-REFRACTIVE-INDEX FILM 주식회사 엘지화학 2020-03-26 WO disclosed
US-20190211202-A1 ADDUCTS AND USES THEREOF HUNTSMAN ADVANCED MATERIALS AMERICAS LLC 2019-07-11 US disclosed
EP-3500627-A1 ADDUCTS AND USES THEREOF Huntsman Advanced Materials Americas LLC (US) 2019-06-26 EP disclosed
EP-2726530-B1 HYBRID EPOXY RESIN ADDUCTS BLUE CUBE IP LLC (US) 2018-09-12 EP disclosed
WO-2018035397-A1 ADDUCTS AND USES THEREOF HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2018-02-22 WO disclosed
EP-2621992-B1 EPOXY RESIN ADDUCTS AND THERMOSETS THEREOF BLUE CUBE IP LLC (US) 2017-07-26 EP disclosed
US-9371414-B2 Epoxy resin adducts and thermosets thereof BLUE CUBE IP LLC (US) 2016-06-21 US disclosed
US-9340702-B2 Coating compositions BLUE CUBE IP LLC (US) 2016-05-17 US disclosed
WO-2011136843-A1 EPOXY POLYCYCLOPENTADIENE COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-11-03 WO disclosed
WO-2011068643-A2 COMPOSITE COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2011-06-09 WO disclosed
EP-2291426-A1 ADDUCTS OF EPOXY RESINS DERIVED FROM ALKANOLAMIDES AND A PROCESS FOR PREPARING THE SAME Dow Global Technologies Inc. (US) 2011-03-09 EP disclosed
US-20110046321-A1 ADDUCTS OF EPOXY RESINS DERIVED FROM ALKANOLAMIDES AND A PROCESS FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES LLC 2011-02-24 US disclosed
US-20110040046-A1 ADDUCTS OF EPOXY RESINS AND PROCESS FOR PREPARING THE SAME BLUE CUBE IP LLC 2011-02-17 US disclosed
WO-2009143038-A1 ADDUCTS OF EPOXY RESINS DERIVED FROM ALKANOLAMIDES AND A PROCESS FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2009-11-26 WO disclosed
EP-0409069-B1 Mesogenic polycyanates and polycyanamides and thermosets thereof DOW CHEMICAL CO (US) 1999-06-02 EP disclosed
US-5442039-A Rod-like mesogenic structures incorporated into polytriazine products; improved tensile strength, flexural strength THE DOW CHEMICAL COMPANY (US) 1995-08-15 US disclosed
US-5428125-A Liquid crystalline THE DOW CHEMICAL COMPANY (US) 1995-06-27 US disclosed
EP-0409069-A2 Mesogenic polycyanates and thermosets thereof THE DOW CHEMICAL COMPANY (US) 1991-01-23 EP 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 (1 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-20110046321-A1 ADDUCTS OF EPOXY RESINS DERIVED FROM ALKANOLAMIDES AND A PROCESS FOR PREPARING THE SAME ALKBH2, GNE, ALKBH3 ESR1 1061/4885ESR2 838/4885PTGS1 942/4885

“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.