Sugi Predict

Sugi Predict / Compounds / SCHEMBL40705

SCHEMBL40705

SCHEMBL40705

CC(=O)C(Cc1ccccc1)Cc1ccccc1.CC(=O)C(Cc1ccccc1)Cc1ccccc1.CC(=O)C(Cc1ccccc1)Cc1ccccc1.[Pd].[Pd]

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.65
▸ CPA1 P15085 5/20 0.57
▸ CPA3 P15088 3/20 0.57
▸ FOLH1 Q04609 1/20 0.57
▸ CPB1 P15086 1/20 0.57
▸ CPB2 Q96IY4 1/20 0.57
▸ ALPI P09923 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ PTGS1 P23219 1/20 0.55
▸ XIAP P98170 1/20 0.55
▸ SLC7A5 Q01650 1/20 0.55
▸ SLC15A1 P46059 1/20 0.52
▸ SLC1A3 P43003 1/20 0.52
▸ SLC1A2 P43004 1/20 0.52
▸ SLC1A1 P43005 1/20 0.52
▸ LTA4H P09960 2/20 0.51
▸ MME P08473 1/20 0.51

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
SCHEMBL4451600 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL4724923 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL107422 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL29865739 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL2588080 1.00 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL497369 0.98 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL28912638 0.96 CYP1A2 (0.65) CYP1A2CPA1CPA3FOLH1CPB1
Chloroform SCHEMBL29063596 0.94 CYP1A2 (0.59) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL21895912 0.88 CYP1A2 (0.67) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL11634382 0.88 CYP1A2 (0.67) CYP1A2CPA1CPA3FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823065-A Preparation method and application of dehydroabietyl D-A type polar response fluorescent compound 南京林业大学 2025-04-15 — — CN claimed
CN-118994167-A Imidazo [1,5-a ] pyrazine antitumor compound and preparation method and application thereof 南京健康产业研究院 2024-11-22 — — CN claimed
CN-118852206-A Near infrared II region organic small molecule, nano probe thereof and application of nano probe in positive detection of osteosarcoma operation cutting edge 上海市第一人民医院 2024-10-29 — — CN claimed
CN-118580473-A Polybithiophene imide derivative and preparation method and application thereof 广州大学 2024-09-03 — — CN claimed
CN-113980054-B Phosphine oxide-containing compound and preparation and application thereof 广东工业大学 2023-12-15 — — CN claimed
CN-113816968-B Luminescent macrocyclic TADF (TADF) compound and preparation method and application thereof 广东工业大学 2022-12-02 — — CN claimed
CN-113980054-A Phosphine-oxygen-containing compound and preparation and application thereof 广东工业大学 2022-01-28 — — CN claimed
CN-122071415-A Organic compound and application thereof 合肥鼎材科技有限公司 2026-05-22 — — CN disclosed
CN-117279921-B Amine compound having azabenzoxazole ring structure and organic electroluminescent element using same 保土谷化学工业株式会社 2026-05-22 — — CN disclosed
WO-2026098684-A1 HETEROCYCLIC COMPOUND AS KRAS INHIBITOR, PREPARATION THEREFOR AND THERAPEUTIC USE THEREOF 上海科州药物股份有限公司 2026-05-15 — — WO disclosed
US-12552813-B2 Heterocyclic substituted pyrimidopyran compound and use thereof MEDSHINE DISCOVERY INC. (CN) 2026-02-17 — — US disclosed
US-20250250288-A1 HETEROCYCLIC SUBSTITUTED PYRIMIDOPYRAN COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2025-08-07 — — US disclosed
CN-120136771-A Benzocarbazole derivative and organic electroluminescent device 海宁奕诺炜特科技有限公司 2025-06-13 — — CN disclosed
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 — — WO disclosed
WO-2008005914-A2 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 — — WO disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 — — US disclosed
WO-2007087068-A2 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2007-08-02 — — WO disclosed
WO-2004029134-A1 FLUORENE-CONTAINING DENDRIMERS ISIS INNOVATION LIMITED (GB) 2004-04-08 — — WO disclosed
EP-0984923-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES Novartis AG (CH) 2000-03-15 — — EP disclosed
WO-1998054125-A1 O-BENZYL OXIME ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-12-03 — — 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-20250250288-A1 HETEROCYCLIC SUBSTITUTED PYRIMIDOPYRAN COMPOUND AND USE THEREOF TPMT, CYP2C9, PAH CYP1A2 110/4885CPA1 1817/4885CPA3 1465/4885
US-12552813-B2 Heterocyclic substituted pyrimidopyran compound and use thereof UROD, SLC6A7, SLC38A7 CYP1A2 163/4885CPA1 1008/4885CPA3 265/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 CYP1A2 4331/4885CPA1 3319/4885CPA3 3906/4885

“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.