SCHEMBL13029

SCHEMBL13029

Oc1c(F)cc(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
AKR1B1 P15121 1/20 0.40
DGAT1 O75907 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
MEP1B Q16820 1/20 0.36
ERN1 O75460 2/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
PTPN1 P18031 1/20 0.35
VRK1 Q99986 1/20 0.34

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
Lithium SCHEMBL31361451 0.97 CYP3A4 (0.48) CYP3A4TSHRTDP1GABRA1GABRB1
Bromide SCHEMBL4668136 0.97 CYP3A4 (0.48) CYP3A4TSHRTDP1GABRA1GABRB1
Potassium SCHEMBL31361438 0.97 CYP3A4 (0.48) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL31361467 0.97 CYP3A4 (0.48) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL2050124 0.88 CYP3A4 (0.46) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL11744136 0.86 CYP3A4 (0.65) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL528819 0.82 TSHR (0.40) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL2245908 0.82 CYP3A4 (0.40) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL31253165 0.82 CYP3A4 (0.40) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL30467799 0.82 TTR (0.40) CYP3A4TSHRTDP1GABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039115-A Preparation method of 2, 6-difluoro-4-bromotrifluoromethoxybenzene 大连奇凯医药科技有限公司 2024-11-29 CN claimed
CN-111574334-B Novel phenolic compound and preparation method and application thereof 江汉大学 2023-02-10 CN claimed
CN-111574334-A Novel phenolic compound and preparation method and application thereof 江汉大学 2020-08-25 CN claimed
CN-104761437-A Preparation method of 4-bromo-2, 6-difluorotrifluoromethoxybenzene SHANGHAI CHEMSPEC INTERNAT LTD 2015-07-08 CN claimed
JP-3501455-B2 2004-03-02 JP claimed
WO-1993003113-A1 LIQUID-CRYSTAL COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1993-02-18 WO claimed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 EP claimed
US-20260137680-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LTD (GB) 2026-05-21 US disclosed
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
US-20260049092-A1 ANTIBACTERIAL COMPOUNDS BLACKSMITH MEDICINES INC (US) 2026-02-19 US disclosed
US-20250326766-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2025-10-23 US disclosed
US-20250320228-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2025-10-16 US disclosed
EP-4568955-A1 ANTIBACTERIAL COMPOUNDS Blacksmith Medicines, Inc. (US) 2025-06-18 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
CN-88100088-A Parasiticidal ether compound 1988-10-05 CN disclosed
EP-0276558-A2 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-03 EP disclosed
US-4750931-A GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1988-06-14 US disclosed
CN-87102455-A Diphenyl ether derivatives pesticide compound 1988-01-27 CN disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed
EP-0142328-A2 Fluorophenoxy compounds, herbicidal compositions and methods THE DOW CHEMICAL COMPANY (US) 1985-05-22 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 (5 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-20260137680-A1 NOVEL COMPOUNDS CCR1, CCR4, CCR3 CYP3A4 219/4885TSHR 3430/4885TDP1 2040/4885
US-20250320228-A1 PYRIDO[3,2-D]PYRIMIDINES AS HPK1 INHIBITORS PDXK, PPIP5K2, IP6K1 CYP3A4 1890/4885TSHR 3727/4885TDP1 350/4885
US-20260049092-A1 ANTIBACTERIAL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, FPR1 CYP3A4 1632/4885TSHR 1023/4885TDP1 4409/4885
US-20250326766-A1 RIPK1 INHIBITORS AND METHODS OF USE RIPK1, RIPK2, RIPK3 CYP3A4 4805/4885TSHR 4246/4885TDP1 647/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 CYP3A4 706/4885TSHR 246/4885TDP1 3504/4885

“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.