SCHEMBL5516631

SCHEMBL5516631

CCC(O)COCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.68
CA2 P00918 2/20 0.68
CA7 P43166 2/20 0.68
CA9 Q16790 2/20 0.68
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.52
TSHR P16473 2/20 0.52
KMT2A Q03164 2/20 0.50
RGS12 O14924 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
AGER Q15109 1/20 0.49

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
SCHEMBL2717725 1.00 CA1 (0.68) CA1CA2CA7CA9MAPK1
SCHEMBL4570490 1.00 CA1 (0.68) CA1CA2CA7CA9MAPK1
SCHEMBL38656190 0.91 CA1 (0.57) CA1CA2CA7CA9MAPK1
SCHEMBL397022 0.88 CA1 (0.78) CA1CA2CA7CA9MAPK1
SCHEMBL9661261 0.87 CA1 (0.66) CA1CA2CA7CA9MAPK1
SCHEMBL24180413 0.85 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL14040676 0.85 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL21344946 0.85 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL10511102 0.85 CA1 (0.64) CA1CA2CA7CA9MAPK1
SCHEMBL12744230 0.85 CA1 (0.68) CA1CA2CA7CA9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137793-A1 COMPOSITIONS AND METHODS FOR INHIBITING OXIDATION OF NATURAL OIL BASED COMPOSITION USING AMINOPHENOL ANTIOXIDANT ECOLAB USA INC. (US) 2024-06-27 WO disclosed
WO-2024054637-A1 SYNTHETIC LUBRICITY ADDITIVES FOR HYDROCARBON FUELS ECOLAB USA INC. (US) 2024-03-14 WO disclosed
US-20230399323-A1 NOVEL COMPOUND, a-SYNUCLEIN AGGREGATE BINDER, AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-14 US disclosed
WO-2020260857-A1 HYDROXAMATE COMPOUNDS AS ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2020-12-30 WO disclosed
WO-2020223225-A1 OXYGENATED AROMATIC AMINES AND USE AS ANTIOXIDANTS ECOLAB USA INC. (US) 2020-11-05 WO disclosed
US-20200339503-A1 OXYGENATED AROMATIC AMINES AND USE AS ANTIOXIDANTS ECOLAB USA INC. 2020-10-29 US disclosed
US-20200339880-A1 OXYGENATED AMINOPHENOL COMPOUNDS AND METHODS FOR PREVENTING MONOMER POLYMERIZATION ECOLAB USA INC. 2020-10-29 US disclosed
CN-109761987-B Fused tricyclic azasugar derivative, synthesis method thereof and application thereof in preparation of glycosidase inhibitor 河北大学 2020-05-08 CN disclosed
WO-2018137573-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 WO disclosed
US-9726933-B2 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO disclosed
US-5948770-A CONTROLLING MAMMAL AND PLANT FUNGI MERCK & CO., INC. (US) 1999-09-07 US disclosed
EP-0625148-A1 NOVEL BACCATINE III AND 10-DEACETYL BACCATINE III DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 1994-11-23 EP disclosed
WO-1993016060-A1 NOVEL BACCATINE III AND 10-DEACETYL BACCATINE III DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-08-19 WO disclosed
EP-0322862-A2 Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators HITACHI, LTD. (JP) 1989-07-05 EP 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 (5 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-20200339503-A1 OXYGENATED AROMATIC AMINES AND USE AS ANTIOXIDANTS AOC2, AOX1, COMT CA1 3363/4885CA2 2456/4885CA7 2530/4885
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 CA1 3484/4885CA2 805/4885CA7 2227/4885
US-20230399323-A1 NOVEL COMPOUND, a-SYNUCLEIN AGGREGATE BINDER, AND USE THEREOF SNCA, PARK7, ATXN2L CA1 3364/4885CA2 3080/4885CA7 4118/4885
US-20200339880-A1 OXYGENATED AMINOPHENOL COMPOUNDS AND METHODS FOR PREVENTING MONOMER POLYMERIZATION HPD, DNPEP, PAH CA1 1585/4885CA2 2200/4885CA7 1975/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS CA1 1307/4885CA2 1408/4885CA7 1290/4885

“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.