SCHEMBL895976

SCHEMBL895976

CCOC(OCC)c1ccc(C=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.62
ACHE P22303 8/20 0.62
BCHE P06276 6/20 0.62
TYR P14679 1/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 6/20 0.44
ALDH1A3 P47895 2/20 0.44
ALDH3A1 P30838 1/20 0.44
CYP2A6 P11509 2/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.38

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
SCHEMBL2047680 0.91 PTGS2 (0.53) PTGS2ACHEBCHETYRNPC1
SCHEMBL9879225 0.90 PTGS2 (0.56) PTGS2ACHEBCHETYRNPC1
SCHEMBL6394314 0.82 PTGS2 (0.57) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL9944620 0.82 TYR (0.55) PTGS2ACHEBCHETYRALDH1A1
SCHEMBL6286470 0.81 TYR (0.48) PTGS2ACHEBCHETYRALDH1A1
SCHEMBL15145397 0.80 PTGS2 (0.57) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL6141293 0.78 ACHE (0.51) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL19984540 0.78 PTGS2 (0.65) PTGS2ACHEBCHETYRNPC1
SCHEMBL2048449 0.78 PTGS2 (0.44) PTGS2ACHEBCHENPC1RAB9A
SCHEMBL28952511 0.77 PTGS2 (0.54) PTGS2ACHEBCHENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110156734-B Fluorescent probe and fluorescent test paper for detecting nerve gas simulant and preparation method thereof 深圳大学 2020-08-18 CN claimed
CN-110156734-A A kind of fluorescence probe, fluorescent test paper and preparation method thereof for simulating analyte detection for nerve gas 深圳大学 2019-08-23 CN claimed
US-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS INSTITUT QUIMIC DE SARRIA CETS (ES) 2010-01-28 US claimed
EP-2100890-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS Institut Quimic De Sarria Cets (ES) 2009-09-16 EP claimed
CN-122011416-A Organosilicon supermolecular elastomer based on crown ether host-guest effect crosslinking and preparation method thereof 山东大学 2026-05-12 CN disclosed
CN-116217566-B Anti-apoptosis protein BCL-2 inhibitor, pharmaceutical composition and application thereof 杭州和正医药有限公司 2025-05-23 CN disclosed
CN-119735563-A Thiazolidinones as NLRP3 protein inhibitors 润药仁智(北京)科技有限公司 2025-04-01 CN disclosed
US-20250034135-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF Hangzhou Healzen Therapeutics Co., Ltd. (CN) 2025-01-30 US disclosed
US-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2025-01-23 US disclosed
EP-4442685-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF Hangzhou HealZen Therapeutics Co., Ltd. (CN) 2024-10-09 EP disclosed
EP-4382611-A1 SENSORS FOR 3-HYDROXYBUTYRATE DETECTION Medtronic MiniMed, Inc. (US) 2024-06-12 EP disclosed
US-20240065585-A1 SENSORS FOR 3-HYDROXYBUTYRATE DETECTION MEDTRONIC MINIMED, INC. (US) 2024-02-29 US disclosed
US-5036079-A Anticholesterol PFIZER INC. (US) 1991-07-30 US disclosed
WO-1991009849-A1 DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS THE UPJOHN COMPANY (US) 1991-07-11 WO disclosed
CN-1036572-A Thiazolidinedione derivatives for lowering blood glucose PFIZER (US) 1989-10-25 CN disclosed
WO-1989008650-A1 THIAZOLIDINEDIONE HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1989-09-21 WO disclosed
EP-0332332-A1 Hypoglycemic thiazolidinedione derivatives PFIZER INC. (US) 1989-09-13 EP disclosed
EP-0332331-A2 Thiazolidinedione hypoglycemic agents PFIZER INC. (US) 1989-09-13 EP disclosed
US-4528114-A Acetylenes HOFFMANN-LA ROCHE INC. (US) 1985-07-09 US disclosed
US-4350833-A REACTING TEREPHTHALALDEHYDE WITH AN ALCOHOL IN PRESENCE OF ACID CATALYSTS AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1982-09-21 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 (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-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR ATR, CHEK2, CHEK1 PTGS2 4403/4885ACHE 3859/4885BCHE 3043/4885
US-20100022769-A1 NOVEL POLYNITROGENATED SYSTEMS AS ANTI-HIV AGENTS MSR1, CCR5, CD4 PTGS2 1051/4885ACHE 3563/4885BCHE 1130/4885
US-20250034135-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF BCL2, BAX, BCL2L1 PTGS2 222/4885ACHE 4201/4885BCHE 2901/4885

“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.