SCHEMBL838245

SCHEMBL838245

Clc1cc(Cl)c2[nH]ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.54
F7 P08709 1/20 0.48
LTA4H P09960 1/20 0.48
F3 P13726 1/20 0.48
NR4A2 P43354 1/20 0.48
TNF P01375 1/20 0.45
RIPK1 Q13546 1/20 0.45
CMA1 P23946 1/20 0.43
IKBKB O14920 3/20 0.40
CHUK O15111 3/20 0.40
CSNK2A1 P68400 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GAA P10253 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36

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
Acetic Acid SCHEMBL27942660 0.87 IKBKB (0.43) AHRF7LTA4HF3NR4A2
SCHEMBL21315701 0.82 AHR (0.48) AHRF7LTA4HF3NR4A2
SCHEMBL4489425 0.80 AHR (0.52) AHRF7LTA4HF3NR4A2
SCHEMBL312307 0.78 AHR (0.50) AHRF7LTA4HF3NR4A2
SCHEMBL860074 0.78 AHR (0.50) AHRF7LTA4HF3NR4A2
SCHEMBL564695 0.78 AHR (0.50) AHRF7LTA4HF3NR4A2
SCHEMBL17064186 0.78 AHR (0.50) AHRF7LTA4HF3NR4A2
SCHEMBL14909105 0.78 TNF (0.57) AHRF7LTA4HF3NR4A2
SCHEMBL2599709 0.78 AHR (0.45) AHRF7LTA4HF3NR4A2
SCHEMBL13961694 0.78 AHR (0.45) AHRF7LTA4HF3NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805664-B Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2023-04-14 CN claimed
CN-114805664-A Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-29 CN claimed
CN-114292582-B Hyperbranched coating suitable for marine concrete, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-12 CN claimed
CN-114292582-A Hyperbranched coating suitable for marine concrete, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-04-08 CN claimed
CN-104073045-A Application of halogenated indole and derivatives thereof as marine antifouling agent YANTAI INST COASTAL ZONE RES CAS 2014-10-01 CN claimed
EP-4650345-A1 HETEROCYCLIC COMPOUND AND USE THEREOF IN MEDICINE Kangbaida (Sichuan) Biotechnology Co., Ltd. (CN) 2025-11-19 EP disclosed
WO-2024215917-A1 MITHRAMYCIN (MTM) 2' OXIMES UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-10-17 WO disclosed
WO-2024149242-A1 HETEROCYCLIC COMPOUND AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2024-07-18 WO disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
CN-114805664-B Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2023-04-14 CN disclosed
US-4966977-A PEROXIDATION OF INDOLE COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-10-30 US disclosed
CN-1042553-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1990-05-30 CN disclosed
EP-0368508-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-16 EP disclosed
CN-1037527-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1989-11-29 CN disclosed
EP-0339887-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-02 EP disclosed
EP-0335524-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-10-04 EP disclosed
CN-1036025-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1989-10-04 CN disclosed
EP-0330419-A2 Process for the preparation of indigo compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-30 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 (1 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 AHR 2635/4885F7 4066/4885LTA4H 1771/4885

“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.