SCHEMBL985711

SCHEMBL985711

O=C(Cl)c1cc(Br)cc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
POLB P06746 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
GPR35 Q9HC97 2/20 0.34
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
HDAC3 O15379 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
SCHEMBL2039219 0.94 PARP1 (0.38) PARP1POLBHCAR2CES2CES1
SCHEMBL6133362 0.85 POLB (0.47) POLBHCAR2ALDH1A1TSHRCA1
SCHEMBL29912760 0.85 TPMT (0.44) PARP1POLBHCAR2GPR35
SCHEMBL986020 0.85 TPMT (0.44) PARP1POLBHCAR2GPR35
SCHEMBL31327392 0.84 CES2 (0.44) PARP1POLBHCAR2CES2CES1
SCHEMBL3397238 0.84 PARP1 (0.32) PARP1POLBHCAR2CES2CES1
SCHEMBL10262794 0.84 PARP1 (0.32) PARP1POLBHCAR2CES2CES1
SCHEMBL5225361 0.84 CES2 (0.44) PARP1POLBHCAR2CES2CES1
SCHEMBL15700662 0.84 TPMT (0.43) PARP1POLBHCAR2GPR35NOTUM
SCHEMBL5223098 0.79 MEN1 (0.41) GPR35CA1CA2TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263908-A Preparation of 1-pyridylpyrazole amide compound and intermediate thereof 湖南化工研究院有限公司 2023-12-22 CN claimed
CN-111545249-B Preparation method of conjugated microporous polymer/palladium-nickel bimetallic catalyst 齐齐哈尔大学 2023-03-21 CN claimed
CN-111545249-A Preparation method of conjugated microporous polymer/palladium-nickel bimetallic catalyst 齐齐哈尔大学 2020-08-18 CN claimed
CN-122029155-A Heterocyclic compound and harmful arthropod control composition containing same 住友化学株式会社 2026-05-12 CN disclosed
US-12559461-B2 Antibiotic adjuvant compounds UNIVERSITY OF NOTRE DAME DU LAC (US) 2026-02-24 US disclosed
CN-120064244-A SERS detection platform based on nanoparticle assembly and pH detection method 南京邮电大学 2025-05-30 CN disclosed
WO-2025089403-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME 住友化学株式会社 2025-05-01 WO disclosed
WO-2025079605-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME 住友化学株式会社 2025-04-17 WO disclosed
CN-115385902-B Benzimidazole compound, and preparation method and application thereof 徐州医科大学 2024-03-29 CN disclosed
US-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS UNIVERSITY OF NOTRE DAME DU LAC (US) 2023-09-14 US disclosed
EP-3162806-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LT MATERIALS CO LTD (KR) 2023-08-23 EP disclosed
US-4403057-A Diester of 3,5,3',5'-tetrabromo-bisphenol A with halogenated aromatic carboxylic acid ASAHI-DOW LIMITED (JP) 1983-09-06 US disclosed
US-4310680-A METAL OR METAL COMPOUND CATALYST DYNAMIT NOBEL AG (DE) 1982-01-12 US disclosed
US-4301062-A Diester of 3,5,3',5'-tetrabromo-bisphenol A with halogenated aromatic carboxylic acid ASAHI DOW LIMITED (JP) 1981-11-17 US disclosed
EP-0031436-A2 A method for the cleavage of siloxanes HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1981-07-08 EP disclosed
US-4057553-A COLOR AGENT FOR FOODS, VITAMINS AND DRUGS HOFFMANN-LA ROCHE INC. (US) 1977-11-08 US disclosed
US-3959216-A N-(Halobenzoyl) hexahalo-3,5-methanotetrahydrophthalimides VELSICOL CHEMICAL CORPORATION (US) 1976-05-25 US disclosed
US-3959217-A N-(halobenzoyl)-4,5-dibromo-3,6-methanohexahydrophthalimides VELSICOL CHEMICAL CORPORATION (US) 1976-05-25 US disclosed
US-3953397-A N-(halobenzoyl)-3,4-dibromohexahydrophthalimides VELSICOL CHEMICAL CORPORATION (US) 1976-04-27 US disclosed
US-3950307-A FIREPROOFING POLYMERS VELSICOL CHEMICAL CORPORATION (US) 1976-04-13 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 (2 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-20230286922-A1 ANTIBIOTIC ADJUVANT COMPOUNDS MYD88, TLR5, TLR8 PARP1 3913/4885POLB 3931/4885HCAR2 2184/4885
US-12559461-B2 Antibiotic adjuvant compounds MYD88, TLR5, TLR4 PARP1 4393/4885POLB 4634/4885HCAR2 3525/4885

“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.