SCHEMBL4454036

SCHEMBL4454036

Clc1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
TSHR P16473 1/20 0.62
ALDH1A1 P00352 4/20 0.60
LMNA P02545 2/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP2A6 P11509 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
CTRC Q99895 1/20 0.50
MAP4K4 O95819 1/20 0.50
CYP3A4 P08684 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP3 P08254 1/20 0.50
BCL2L1 Q07817 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
SCHEMBL183912 1.00 CYP1A2 (1.00) CYP1A2TSHRALDH1A1LMNAKDM4E
Phosphine SCHEMBL5144006 0.97 CYP1A2 (0.94) CYP1A2TSHRALDH1A1LMNAKDM4E
Lithium SCHEMBL30864207 0.97 CYP1A2 (0.94) CYP1A2TSHRALDH1A1LMNAKDM4E
Water SCHEMBL6336149 0.97 CYP1A2 (0.94) CYP1A2TSHRALDH1A1LMNAKDM4E
Water SCHEMBL10875875 0.97 CYP1A2 (0.94) CYP1A2TSHRALDH1A1LMNAKDM4E
Hydrogen Sulfide SCHEMBL7195075 0.97 CYP1A2 (0.94) CYP1A2TSHRALDH1A1LMNAKDM4E
SCHEMBL29220721 0.97 CYP1A2 (0.94) CYP1A2TSHRALDH1A1LMNAKDM4E
Biphenyl SCHEMBL27859632 0.97 CYP1A2 (0.93) CYP1A2TSHRALDH1A1LMNAKDM4E
Ethylene SCHEMBL3705594 0.94 CYP1A2 (0.88) CYP1A2TSHRALDH1A1LMNAKDM4E
SCHEMBL21663932 0.91 CYP1A2 (0.83) CYP1A2TSHRALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559674-B2 Light emitting element and amine compound for the same SAMSUNG DISPLAY CO., LTD. (KR) 2026-02-24 US disclosed
CN-119462583-A Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2025-02-18 CN disclosed
CN-114555572-B Compound, material for organic electroluminescent element, and electronic device 出光兴产株式会社 2024-12-31 CN disclosed
US-20240130147-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-04-18 US disclosed
US-20230193123-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
US-20230193123-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
EP-4198032-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME Samsung Display Co., Ltd. (KR) 2023-06-21 EP disclosed
US-20230026162-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-26 US disclosed
EP-4043449-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2022-08-17 EP disclosed
CN-113512038-B Benzo [4,5] imidazo [1,2-a ] pyridine derivative and preparation method and application thereof 华南师范大学 2022-08-05 CN disclosed
US-7507830-B2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles PHARMACORE, INC. (US) 2009-03-24 US disclosed
CN-100381421-C Process for producing triarylsulfonium salt WAKO PURE CHEM IND LTD (JP) 2008-04-16 CN disclosed
US-20080075950-A1 Electron-Conjugated Organic Silane Compound, Functional Organic Thin Film And Production Method Thereof SHARP KABUSHIKI KAISHA (JP) 2008-03-27 US disclosed
US-20080075950-A1 Electron-Conjugated Organic Silane Compound, Functional Organic Thin Film And Production Method Thereof SHARP KABUSHIKI KAISHA (JP) 2008-03-27 US disclosed
CN-1871212-A Process for producing triarylsulfonium salt WAKO PURE CHEM IND LTD (JP) 2006-11-29 CN disclosed
US-6962999-B2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles PHARMACORE, INC. (US) 2005-11-08 US disclosed
US-20050124808-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM I.P. ASSETS B.V. (NL) 2005-06-09 US disclosed
US-20030100760-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM N.V. (NL) 2003-05-29 US disclosed
EP-1279656-A2 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles DSM N.V. (NL) 2003-01-29 EP disclosed
CN-1309655-A Cyclic compounds useful in treatment of dyslipidaemia, atherosclerosis and diabetes, pharmaceutical compositions and preparation process MERCK PATENT GMBH (DE) 2001-08-22 CN 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 (6 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-20230026162-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, LEF1, MLX CYP1A2 2492/4885TSHR 3129/4885ALDH1A1 982/4885
US-20030100760-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles AHR, PAH, DDT CYP1A2 163/4885TSHR 2211/4885ALDH1A1 3227/4885
US-20080075950-A1 Electron-Conjugated Organic Silane Compound, Functional Organic Thin Film And Production Method Thereof AOX1, QSOX1, AOC3 CYP1A2 341/4885TSHR 3909/4885ALDH1A1 676/4885
US-12559674-B2 Light emitting element and amine compound for the same SLC1A2, CRY1, CRY2 CYP1A2 118/4885TSHR 1500/4885ALDH1A1 147/4885
US-20240130147-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME CRY1, CRY2, NFE2L2 CYP1A2 534/4885TSHR 1618/4885ALDH1A1 73/4885
US-20050124808-A1 Process for preparing unsymmetrical biaryls and alkylated aromatic compounds from arylnitriles AHR, PAH, DDT CYP1A2 163/4885TSHR 2211/4885ALDH1A1 3227/4885

“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.