SCHEMBL2416319

SCHEMBL2416319

O=Cc1ccc2c(c1)OCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRM3 P20309 1/20 0.47
CHRNA4 P43681 1/20 0.47
DYRK1A Q13627 7/20 0.45
DYRK1B Q9Y463 7/20 0.45
DYRK2 Q92630 5/20 0.45
ERN1 O75460 2/20 0.43
CLK1 P49759 3/20 0.39
PIK3CA P42336 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL3327121 0.89 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1CHRM2CHRM1
SCHEMBL3522268 0.87 ALDH1A1 (0.49) ALDH1A1HSD17B10TDP1CHRM2CHRM1
SCHEMBL339129 0.85 DYRK1A (0.61) ALDH1A1HSD17B10TDP1DYRK1ADYRK1B
SCHEMBL18255131 0.82 XDH (0.43) ALDH1A1HSD17B10TDP1CHRM2CHRM1
Hydrochloric Acid SCHEMBL8556367 0.81 DYRK1A (0.58) ALDH1A1HSD17B10TDP1DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL8556369 0.81 DYRK1A (0.58) ALDH1A1HSD17B10TDP1DYRK1ADYRK1B
SCHEMBL2544184 0.81 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1CHRM2CHRM1
SCHEMBL4026846 0.81 DYRK1A (0.43) ALDH1A1HSD17B10TDP1CHRM2CHRM1
SCHEMBL28902687 0.81 CHRM2 (0.43) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL6880463 0.81 DYRK1A (0.41) CHRM2CHRM1CHRNB2CHRM3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236712-B1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE AJINOMOTO KK (JP) 2008-08-06 EP claimed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US claimed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US claimed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 EP claimed
CN-119143691-B Thiadiazole derivative and preparation method and application thereof 山东大学日照研究院 2025-06-24 CN disclosed
US-20250115604-A1 SULFOXIMINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2025-04-10 US disclosed
CN-119638680-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-119638682-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-119638681-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-119143691-A Thiadiazole derivative and preparation method and application thereof 山东大学日照研究院 2024-12-17 CN disclosed
US-12157734-B2 Sulfoximine glycosidase inhibitors ASCENEURON SA (CH) 2024-12-03 US disclosed
CN-116323598-B Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-11-15 CN disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 US disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 EP disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO disclosed
EP-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 EP disclosed
WO-2007067511-A2 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-06-14 WO disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 WO 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-12157734-B2 Sulfoximine glycosidase inhibitors ENGASE, BACE1, GAA ALDH1A1 862/4885HSD17B10 1024/4885TDP1 881/4885
US-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 ALDH1A1 622/4885HSD17B10 1277/4885TDP1 2156/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 ALDH1A1 1019/4885HSD17B10 644/4885TDP1 4014/4885
US-20250115604-A1 SULFOXIMINE GLYCOSIDASE INHIBITORS ENGASE, BACE1, GAA ALDH1A1 955/4885HSD17B10 1040/4885TDP1 905/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 ALDH1A1 348/4885HSD17B10 2672/4885TDP1 3710/4885

“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.