Sugi Predict

Sugi Predict / Compounds / SCHEMBL4068942

SCHEMBL4068942

SCHEMBL4068942

CCOC(=O)C(C(=O)OCC)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.54
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ DHODH Q02127 1/20 0.42
▸ PIN1 Q13526 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL271585 0.94 MMP8 (0.59) MMP8MEN1KMT2ATSHRNPC1
SCHEMBL28464077 0.90 MMP8 (0.50) MMP8MEN1KMT2ATSHRNPC1
SCHEMBL13228057 0.87 MMP8 (0.47) MMP8MEN1KMT2ANPC1AURKA
SCHEMBL1043357 0.86 ESR1 (0.55) MMP8MEN1KMT2ATSHRNPC1
SCHEMBL9052677 0.86 MMP8 (0.53) MMP8MEN1KMT2ATSHRNPC1
SCHEMBL10185057 0.85 ALDH1A1 (0.58) MMP8MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL1041533 0.84 MMP8 (0.51) MMP8MEN1KMT2ATSHRNPC1
SCHEMBL490300 0.84 MMP8 (0.51) MMP8MEN1KMT2ATSHRNPC1
SCHEMBL536847 0.84 MMP8 (0.56) MMP8MEN1KMT2ATSHRNPC1
SCHEMBL15030577 0.84 MMP8 (0.51) MMP8MEN1KMT2ATSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101838218-A Ester compound and pharmaceutical use of the same JAPAN TOBACCO INC 2010-09-22 — — CN claimed
CN-1630629-B Ester compound and medical use thereof JAPAN TOBACCO INC 2010-05-05 — — CN claimed
CN-1630629-A Ester compound and medical use thereof JAPAN TOBACCO INC (JP) 2005-06-22 — — CN claimed
US-20250312504-A1 VOLATILE COMPOSITION DISPENSER FOR COMPOSITIONS COMPRISING A META-(C1-C4 ALKOXY) SALICYLALDEHYDE THE PROCTER & GAMBLE COMPANY 2025-10-09 — — US disclosed
US-20240199997-A1 COMPOSITIONS COMPRISING A META-(C1-C4 ALKOXY) SALICYLALDEHYDE PROCTER & GAMBLE COMPANY, THE 2024-06-20 — — US disclosed
WO-2023104940-A1 CATALYST SYSTEM FOR POLYMERIZATION OF AN OLEFIN SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2023-06-15 — — WO disclosed
CN-107266275-B Compound containing monofluoromethyl, preparation method and application thereof 中国科学院上海有机化学研究所 2020-07-07 — — CN disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 — — US disclosed
CN-107266275-A A kind of compound for containing a methyl fluoride, its preparation method and application 中国科学院上海有机化学研究所 2017-10-20 — — CN disclosed
EP-2658855-A2 NOVEL POLYKETIDE COMPOUNDS AND METHODS OF MAKING SAME Acies Bio d.o.o. (SI) 2013-11-06 — — EP disclosed
WO-2012089349-A2 NOVEL POLYKETIDE COMPOUNDS AND METHODS OF MAKING SAME ACIES BIO D.O.O. (SI) 2012-07-05 — — WO disclosed
EP-0869947-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-10-14 — — EP disclosed
US-5777152-A Process for preparing 2-aryl-2-chloromalonic diesters HUELS AKTIENGESELLSCHAFT (DE) 1998-07-07 — — US disclosed
US-5739333-A 4-SULFONAMIDO-6-ARYLOXY OR -AMINOALKYLENEOXY,-AMINO, OR -THIOPYRIMIDINES; ENDOLTHELIN ANTAGONISTS; HYPOTENSIVE AND ULCER AGENTS; ASTHMA; RAYNAUD DISEASE; CARDIOVASCULAR DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 — — US disclosed
US-5728706-A ENDOTHELIN ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 1998-03-17 — — US disclosed
WO-1997023465-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-03 — — WO disclosed
CN-1146990-A Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO (JP) 1997-04-09 — — CN disclosed
EP-0743307-A1 Sulfonamide derivative and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1996-11-20 — — EP disclosed
EP-0732321-A1 Process for the preparation of diesters of 2-aryl-2-chloromalonic acid HÜLS AKTIENGESELLSCHAFT (DE) 1996-09-18 — — EP disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 — — 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 (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-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 MMP8 4481/4885MEN1 3223/4885KMT2A 3988/4885

“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.