SCHEMBL584760

SCHEMBL584760

COC(=O)C(C)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL584761 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL2384186 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL1968848 0.90 NAAA (0.48) ALDH1A1MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL2221132 0.90 NAAA (0.48) ALDH1A1MAPTCYP2C9CYP2C19CYP1A2
SCHEMBL14408397 0.87 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL16673135 0.87 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL10472516 0.84 L3MBTL1 (0.64) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL3813646 0.84 L3MBTL1 (0.64) ALDH1A1L3MBTL1MAPTKMT2AMEN1
SCHEMBL28008702 0.84 TSHR (0.54) ALDH1A1L3MBTL1KMT2AMEN1SLC1A3
SCHEMBL25980247 0.84 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758385-B1 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LAB LTD (IN) 2018-03-28 EP claimed
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof MSN LABORATORIES LIMITED (IN) 2014-11-20 US claimed
EP-2758385-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN Laboratories Limited (IN) 2014-07-30 EP claimed
WO-2013042138-A2 PROCESS FOR THE PREPARATION OF TRIAZOLE ANTIFUNGAL DRUG, ITS INTERMEDIATES AND POLYMORPHS THEREOF MSN LABORATORIES LIMITED (IN) 2013-03-28 WO claimed
EP-4630417-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
WO-2024121086-A1 NOVEL COMPOUNDS AS MODULATORS OF NLRP3 INHIBITION F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed
EP-3632907-B1 N-(AZAARYL)CYCLOLACTAM-1-CARBOXAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2024-02-28 EP disclosed
EP-3632907-B1 N-(AZAARYL)CYCLOLACTAM-1-CARBOXAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2024-02-28 EP disclosed
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed
CN-117177974-A Imidazole-containing condensed ring derivative, preparation method and medical application thereof 长春金赛药业有限责任公司 2023-12-05 CN disclosed
CN-116693447-A Ketone amide derivative and pharmaceutical application thereof 成都威斯克生物医药有限公司 2023-09-05 CN disclosed
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 WO disclosed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US disclosed
CN-100503609-C 2-alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2, 4-triazolo [1,5-c]-pyrimidine adenosine A2areceptor antagonist SCHERING CORP (US) 2009-06-24 CN disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
CN-1777609-A 2-alkynyl-and 2-alkenyl-pyrazolo- [4, 3-e]-1, 2, 4-triazolo [1, 5-c]-pyrimidine adenosine A2aReceptor antagonists SCHERING CORP (US) 2006-05-24 CN disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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 (4 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-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B ALDH1A1 3735/4885L3MBTL1 1749/4885MAPT 4844/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 ALDH1A1 591/4885L3MBTL1 3697/4885MAPT 2814/4885
US-20140343285-A1 Process for the Preparation of Triazole Antifungal Drug, Its Intermediates and Polymorphs Thereof CYP3A4, CYP51A1, CYP1B1 ALDH1A1 372/4885L3MBTL1 4374/4885MAPT 1385/4885
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG ALDH1A1 461/4885L3MBTL1 4855/4885MAPT 4229/4885

“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.