SCHEMBL8070919

SCHEMBL8070919

Oc1cc(Br)c(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.60
TSHR P16473 7/20 0.60
HPGD P15428 6/20 0.60
AHR P35869 2/20 0.44
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP1 P29466 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
CSNK2A1 P68400 1/20 0.35
ALOX15 P16050 1/20 0.35
ADRA1A P35348 1/20 0.34
ACLY P53396 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL30733854 1.00 HSD17B10 (0.60) HSD17B10TSHRHPGDAHRCYP3A4
SCHEMBL305189 0.89 TSHR (0.60) HSD17B10TSHRHPGDAHRCYP3A4
SCHEMBL29720512 0.89 TSHR (0.60) HSD17B10TSHRHPGDAHRCYP3A4
SCHEMBL2215984 0.86 TSHR (0.57) HSD17B10TSHRHPGDAHRCYP3A4
SCHEMBL8820666 0.86 TSHR (0.57) HSD17B10TSHRHPGDAHRCYP3A4
Triclofenol SCHEMBL11818770 0.80 HSD17B10 (0.64) HSD17B10TSHRHPGDAHRCYP3A4
SCHEMBL69259 0.78 HSD17B10 (0.80) HSD17B10TSHRHPGDAHRCYP3A4
SCHEMBL11282194 0.78 AHR (0.55) HSD17B10TSHRHPGDAHRCYP3A4
SCHEMBL8640677 0.78 TSHR (0.52) HSD17B10TSHRHPGDAHRCYP3A4
SCHEMBL31376053 0.77 TSHR (0.46) HSD17B10TSHRHPGDCYP3A4ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344240-A Preparation method of 2, 4-dichloro-5-bromophenol 中国科学技术大学 2024-07-16 CN claimed
US-12133529-B2 Herbicidal phenylethers BASF SE (DE) 2024-11-05 US disclosed
CN-118344240-A Preparation method of 2, 4-dichloro-5-bromophenol 中国科学技术大学 2024-07-16 CN disclosed
CN-118344240-A Preparation method of 2, 4-dichloro-5-bromophenol 中国科学技术大学 2024-07-16 CN disclosed
CN-118344240-A Preparation method of 2, 4-dichloro-5-bromophenol 中国科学技术大学 2024-07-16 CN disclosed
CN-117466714-A Preparation method of 2, 4-dichloro-5-halogenated phenol 中国科学技术大学 2024-01-30 CN disclosed
CN-117466714-A Preparation method of 2, 4-dichloro-5-halogenated phenol 中国科学技术大学 2024-01-30 CN disclosed
US-20230345941-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2023-11-02 US disclosed
CN-115151532-B Quinoxalindione derivatives as irreversible inhibitors of KRAS G12C muteins 北京泰德制药股份有限公司 2023-06-06 CN disclosed
CN-115151532-A Quinoxalinedione derivatives as irreversible inhibitors of KRAS G12C muteins 北京泰德制药股份有限公司 2022-10-04 CN disclosed
WO-2021219090-A1 QUINOXALINE DIONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN 北京泰德制药股份有限公司 (CN) 2021-11-04 WO disclosed
US-20200305429-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2020-10-01 US disclosed
CN-111356693-A Herbicidal phenyl ethers 巴斯夫欧洲公司 2020-06-30 CN disclosed
WO-2019101551-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2019-05-31 WO disclosed
EP-0821688-B1 NOVEL BETA-METHOXY ACRYLIC ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND USE OF SAID DERIVATIVES AS PESTICIDES HOECHST SCHERING AGREVO SA (FR) 2000-07-26 EP disclosed
US-5985853-A β-methoxy acrylic acid derivatives, method for preparing same, and use of said derivatives as pesticides HOECHST MARION ROUSSEL (FR) 1999-11-16 US disclosed
CN-1181757-A Novel 'beta'-methoxy acrylic acid derivatives, method for preparing same, and use of said derivatives as pesticides HOECHST SCHERING AGREVO SA (FR) 1998-05-13 CN disclosed
EP-0821688-A1 NOVEL $g(b)-METHOXY ACRYLIC ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND USE OF SAID DERIVATIVES AS PESTICIDES Hoechst Schering AgrEvo S.A. (FR) 1998-02-04 EP disclosed
WO-1996032399-A1 NOVEL β-METHOXY ACRYLIC ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND USE OF SAID DERIVATIVES AS PESTICIDES HOECHST SCHERING AGREVO S.A. (FR) 1996-10-17 WO 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-20200305429-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 HSD17B10 110/4885TSHR 3222/4885HPGD 1220/4885
US-12133529-B2 Herbicidal phenylethers DDT, HPD, GSTM2 HSD17B10 110/4885TSHR 3222/4885HPGD 1220/4885
US-20230345941-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 HSD17B10 110/4885TSHR 3222/4885HPGD 1220/4885

“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.