SCHEMBL6602218

SCHEMBL6602218

Cc1cc(Br)cc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.61
CYP2A6 P11509 4/20 0.61
ALDH1A1 P00352 4/20 0.50
NQO2 P16083 1/20 0.46
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
KMT2A Q03164 1/20 0.38
ACP1 P24666 1/20 0.37

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
SCHEMBL29434773 0.76 CYP2A6 (0.48) CYP1A2CYP2A6ALDH1A1NQO2HSD17B10
SCHEMBL29352143 0.76 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL29524488 0.76 CYP2A6 (0.48) CYP1A2CYP2A6ALDH1A1NQO2HSD17B10
SCHEMBL598829 0.76 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL3103031 0.76 CYP2A6 (0.48) CYP1A2CYP2A6ALDH1A1NQO2HSD17B10
SCHEMBL6404410 0.76 CYP1A2 (0.63) CYP1A2CYP2A6ALDH1A1NQO2HSD17B10
SCHEMBL5249856 0.76 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1402233 0.74 CYP1A2 (0.64) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL5249792 0.74 CYP1A2 (0.64) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL27919233 0.74 CYP1A2 (0.95) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440737-A1 PREPARATION OF BIARYL COMPOUNDS EASTMAN KODAK COMPANY (US) 1991-08-14 EP claimed
WO-1990004577-A1 PREPARATION OF BIARYL COMPOUNDS EASTMAN KODAK COMPANY (US) 1990-05-03 WO claimed
EP-0366573-A1 Preparation of biaryl compounds EASTMAN CHEMICAL COMPANY (US) 1990-05-02 EP claimed
US-4912276-A Preparation of biaryl compounds EASTMAN KODAK COMPANY (US) 1990-03-27 US claimed
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2024-07-04 US disclosed
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2024-07-04 US disclosed
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-01-16 US disclosed
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-01-16 US disclosed
EP-4234524-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-08-30 EP disclosed
EP-4219436-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-08-02 EP disclosed
EP-4206179-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2023-07-05 EP disclosed
US-20230200214-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-06-22 US disclosed
EP-0446301-A1 PREPARATION OF BIARYL COMPOUNDS. EASTMAN KODAK CO (US) 1991-09-18 EP disclosed
US-5021380-A Contacting nickel/II/ compound with organophosphine and bidentate nitrogen-containing ligands and tertiary-alkyl organometallic compound in nonpolar ether solvent to form nickel/0/ species EASTMAN KODAK COMPANY (US) 1991-06-04 US disclosed
EP-0376856-A1 Preparation of biaryl compounds EASTMAN KODAK COMPANY (US) 1990-07-04 EP disclosed
US-4939309-A REACTING ARYL HALIDE WITH NICKEL-ORGANOPHOSPHINE-ORGANOMETAL-LIC-BIDENTATE LIGAND CATALYST EASTMAN KODAK COMPANY (US) 1990-07-03 US disclosed
WO-1990006295-A1 PREPARATION OF BIARYL COMPOUNDS EASTMAN KODAK COMPANY (US) 1990-06-14 WO disclosed
EP-0366573-A1 Preparation of biaryl compounds EASTMAN CHEMICAL COMPANY (US) 1990-05-02 EP disclosed
US-4916227-A From aromatic halide using coordinating catalyst containing nickel, phosphorus containing ligand, and reducing metal EASTMAN KODAK COMPANY (US) 1990-04-10 US disclosed
US-4912276-A Preparation of biaryl compounds EASTMAN KODAK COMPANY (US) 1990-03-27 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 (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-20230200214-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EMC1, EMC2, EPCAM CYP1A2 1633/4885CYP2A6 2104/4885ALDH1A1 969/4885
US-11877508-B2 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof EMC1, EMC2, EPCAM CYP1A2 1633/4885CYP2A6 2104/4885ALDH1A1 969/4885
US-20240217902-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EMC1, EMC2, AOC1 CYP1A2 1643/4885CYP2A6 2151/4885ALDH1A1 816/4885

“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.