SCHEMBL2016996

SCHEMBL2016996

N#Cc1ccccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.70
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
PTPN5 P54829 1/20 0.53
TRPA1 O75762 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
GALR3 O60755 1/20 0.47
GAA P10253 1/20 0.47
MCL1 Q07820 2/20 0.46
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
GRIA2 P42262 1/20 0.43
GRIA4 P48058 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 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
SCHEMBL31410710 0.95 ESR2 (0.76) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL223 0.95 ESR2 (0.69) ESR2GABRG2GABRB3GABRA5GABRA3
Water SCHEMBL3178714 0.95 ESR2 (0.69) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL29662886 0.95 ESR2 (0.69) ESR2GABRG2GABRB3GABRA5GABRA3
Fluoride SCHEMBL27583847 0.93 ESR2 (0.67) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL151224 0.93 ESR2 (0.67) ESR2GABRG2GABRB3GABRA5GABRA3
Bromide SCHEMBL27774142 0.93 ESR2 (0.67) ESR2GABRG2GABRB3GABRA5GABRA3
Methane SCHEMBL8312669 0.93 ESR2 (0.67) ESR2GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL6985442 0.93 ESR2 (0.67) ESR2GABRG2GABRB3GABRA5GABRA3
Ethylene SCHEMBL28042734 0.91 ESR2 (0.64) ESR2GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX INC (JP) 2025-11-20 US disclosed
US-12369492-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2025-07-22 US disclosed
EP-2303967-B1 IMPROVED, RED COLOUR FILTER COMPOSITION BASF SE (DE) 2013-11-13 EP disclosed
US-8273269-B2 Red colour filter composition BASF SE (DE) 2012-09-25 US disclosed
US-20110155973-A1 IMPROVED, RED COLOUR FILTER COMPOSITION BASF SE (DE) 2011-06-30 US disclosed
EP-0108472-B1 ORGANIC MATERIALS FOR A LIQUID CRYSTAL DEVICE The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1989-12-13 EP disclosed
EP-0310676-A1 LIQUID-CRYSTAL DERIVATIVES OF 2,5-DISUBSTITUTED PYRIDINE AS COMPONENTS OF LIQUID-CRYSTAL MATERIAL, AND A LIQUID-CRYSTAL MATERIAL PAVLJUCHENKO, Assya Iosifovna (RU) 1989-04-12 EP disclosed
WO-1989002093-A1 LIQUID CRYSTAL MICELLES, DISPLAY, HAVING CONCENTRIC SPHERES MOLECULAR CONTROL CORPORATION (US) 1989-03-09 WO disclosed
EP-0059095-B1 LIQUID CRYSTAL MATERIALS COMPRISING PLEOCHROIC DYES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1987-04-29 EP disclosed
EP-0091226-B1 DIELECTRIC MATERIALS The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1986-10-01 EP disclosed
US-4506957-A Liquid crystal materials containing pleochroic anthraquinone dyes THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1985-03-26 US disclosed
US-4483595-A MIXTURE OF AROMATIC NITRILE, AROMATIC ESTER, AROMATIC HYDROCARBONS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITTANIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1984-11-20 US disclosed
US-4464282-A ANTHRAQUINONE PLEOCHROIC DYE FOR LIQUID CRYSTALS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITIAN AND NORTHERN IRELAND (GB) 1984-08-07 US disclosed
EP-0108472-A2 Organic materials for a liquid crystal device The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1984-05-16 EP disclosed
EP-0091226-A2 Dielectric materials The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1983-10-12 EP disclosed
US-4405211-A CLOCKS; DISPLAYING; OPTICAL APPARATUS; ELECTRICAL THIN FILMS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1983-09-20 US disclosed
EP-0060646-A1 Liquid crystal compositions The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1982-09-22 EP disclosed
EP-0059095-A1 Liquid crystal materials comprising pleochroic dyes The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1982-09-01 EP disclosed
EP-0049035-A1 Organic compositions suitable for a guest-host liquid crystal device The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1982-04-07 EP disclosed
EP-0049036-A1 Organic compositions suitable for guest-host liquid crystal device The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1982-04-07 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 (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-20110155973-A1 IMPROVED, RED COLOUR FILTER COMPOSITION NR2E3, MRPS22, NR2C2 ESR2 494/4885GABRG2 1561/4885GABRB3 1185/4885
US-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 ESR2 318/4885GABRG2 3351/4885GABRB3 2361/4885
US-12369492-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 ESR2 318/4885GABRG2 3351/4885GABRB3 2361/4885

“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.