SCHEMBL166090

SCHEMBL166090

COC=C(C(=O)OC)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 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
Alcohol SCHEMBL7072609 0.90 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRECQL
SCHEMBL6154105 0.87 ALDH1A1 (0.40) ALDH1A1KEAP1NFE2L2HCAR2MAPT
SCHEMBL6154107 0.87 ALDH1A1 (0.40) ALDH1A1KEAP1NFE2L2HCAR2MAPT
SCHEMBL166921 0.87 ALDH1A1 (0.40) ALDH1A1KEAP1NFE2L2HCAR2MAPT
SCHEMBL23394794 0.84 NPSR1 (0.50) ALDH1A1MAPTNPSR1
SCHEMBL7172761 0.81 MAPT (0.32) ALDH1A1MAPTHPGDNPSR1
SCHEMBL7171266 0.81 MAPT (0.32) ALDH1A1MAPTHPGDNPSR1
SCHEMBL11656078 0.81 ALDH1A1 (0.31) ALDH1A1MAPTHPGDRECQL
SCHEMBL7173968 0.81 MAPT (0.32) ALDH1A1MAPTHPGDNPSR1
SCHEMBL17164534 0.79 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118604214-A Method for analyzing amine metabolites in soil by DMMMM derivatization-liquid chromatography 贵州省烟草科学研究院 2024-09-06 CN claimed
CN-113480477-A Preparation process of 4-trifluoromethyl nicotinic acid 江西汇和化工有限公司 2021-10-08 CN claimed
CN-107298653-A A kind of method for synthesizing 4 trifluoromethyl nicotinic acids 江苏建农植物保护有限公司 2017-10-27 CN claimed
US-4851566-A CONDENSING ALKYL MALONATE WITH ORTHOESTER IN PRESENCE OF CARBOXYLIC ACID AND CADMIUM OR MAGNESIUM COMPOUND CATALYST RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-07-25 US claimed
EP-0152319-B1 PROCESS FOR OBTAINING COMPOUNDS WITH AN ALKOXYACYLIDENE GROUP RHONE-POULENC CHIMIE (FR) 1987-07-22 EP claimed
JP-1228974-A None JP disclosed
US-20250270210-A1 BCL-2 Inhibitor BEIGENE, LTD. (KY) 2025-08-28 US disclosed
EP-4004000-B1 THIENOPYRIDINYL AND THIAZOLOPYRIDINYL COMPOUNDS USEFUL AS IRAK4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-07-09 EP disclosed
US-12304916-B2 Thienopyridinyl and thiazolopyridinyl compounds useful as IRAK4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-20 US disclosed
US-12286430-B2 Bcl-2 inhibitor BEIGENE, LTD. (KY) 2025-04-29 US disclosed
CN-119735546-A Preparation method of 4-trifluoromethyl nicotinic acid 帕潘纳(北京)科技有限公司 2025-04-01 CN disclosed
WO-2025008288-A1 9-OXO-9,10-DIHYDRO-6H-PYRANO[3,2-B:4,5-B']DIPYRIDINE-8-CARBOXYLIC ACID DERIVATIVES CENTENARA LABS AG (CH) 2025-01-09 WO disclosed
US-4104049-A Chlorine-substituted vinylaminobenzoic acid compounds and plant growth regulant compositions BAYER AKTIENGESELLSCHAFT (DE) 1978-08-01 US disclosed
US-4086233-A ANTIALLERGENS STERLING DRUG INC. (US) 1978-04-25 US disclosed
US-4072679-A CNS DEPRESSANTS, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-02-07 US disclosed
US-4072746-A CARDIOTONIC AGENTS STERLING DRUG INC. (US) 1978-02-07 US disclosed
US-4058553-A Method of preparing alkoxymethylenemalonic acid esters DYNAMIT NOBEL AKTIENGESELLSCHAFT (DT) 1977-11-15 US disclosed
US-4032523-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-06-28 US disclosed
US-4018770-A ANTIALLERGENS STERLING DRUG INC. (US) 1977-04-19 US disclosed
US-3992380-A 5,8-Dihydro-5-oxo-2-(4-or 3-pyridinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acids and esters STERLING DRUG INC. (US) 1976-11-16 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-20250270210-A1 BCL-2 Inhibitor BCL2, BCL2A1, BCL2L1 ALDH1A1 2918/4885KEAP1 1412/4885NFE2L2 236/4885
US-12304916-B2 Thienopyridinyl and thiazolopyridinyl compounds useful as IRAK4 inhibitors IRAK4, IRAK1, IRAK2 ALDH1A1 2699/4885KEAP1 1839/4885NFE2L2 3219/4885
US-12286430-B2 Bcl-2 inhibitor BCL2, BCL2A1, BCL2L1 ALDH1A1 2918/4885KEAP1 1412/4885NFE2L2 236/4885

“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.