SCHEMBL3339258

SCHEMBL3339258

O=C(O)CCC1CC[CH]CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 4/20 0.37
PHF8 Q9UPP1 4/20 0.37
KDM2A Q9Y2K7 4/20 0.37
KDM4C Q9H3R0 3/20 0.37
KDM7A Q6ZMT4 1/20 0.37
LMNA P02545 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL21085053 0.87 KDM5A (0.42) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL8920891 0.83 KDM5A (0.47) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL672141 0.83 KDM5A (0.47) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL301024 0.83
Hydrochloric Acid SCHEMBL8026839 0.80
Bromide SCHEMBL15821114 0.80 KDM5A (0.46) KDM5APHF8KDM2AKDM4CKDM7A
Water SCHEMBL15822499 0.80 KDM5A (0.46) KDM5APHF8KDM2AKDM4CKDM7A
SCHEMBL21085160 0.79 LMNA (0.37) KDM5APHF8KDM2AKDM4CLMNA
SCHEMBL2800 0.78 HPGD (0.52) KDM5APHF8KDM2AKDM4CLMNA
SCHEMBL1009256 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-17 US claimed
EP-1740587-A4 SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS LLC (US) 2009-07-15 EP claimed
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US claimed
US-7217702-B2 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2007-05-15 US claimed
EP-1740587-A2 SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS Adenosine Therapeutics, LLC (US) 2007-01-10 EP claimed
US-20050282831-A1 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC 2005-12-22 US claimed
WO-2005097140-A2 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2005-10-20 WO claimed
CN-1047778-C Pyrimido [5-4-d] pyrimidines, drugs containing these compounds, their use and process for preparing them THOMAE GMBH DR K (DE) 1999-12-29 CN claimed
EP-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP claimed
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 US claimed
EP-0567967-B1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production THOMAE GMBH DR K (DE) 1996-07-10 EP claimed
EP-0567967-A1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production Dr. Karl Thomae GmbH (DE) 1993-11-03 EP claimed
US-10759749-B2 Therapeutic agent for diabetes JCR PHARMACEUTICALS CO., LTD. (JP) 2020-09-01 US disclosed
EP-3508474-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES JCR Pharmaceuticals Co., Ltd. (JP) 2019-07-10 EP disclosed
US-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES JCR PHARMACEUTICALS CO., LTD. (JP) 2019-07-04 US disclosed
EP-1740587-A4 SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS LLC (US) 2009-07-15 EP disclosed
US-5707989-A ANTITUMOR AGENTS, INHIBITING SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES DR. KARL THOMAE GMBH (DE) 1998-01-13 US disclosed
US-5677466-A TESTING USING A AMIDINOPHENYL CONTAINING COMPOUND DR. KARL THOMAE, GMBH (DE) 1997-10-14 US disclosed
EP-0567967-B1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production THOMAE GMBH DR K (DE) 1996-07-10 EP disclosed
EP-0567967-A1 Tritium-labelled fibrinogen-receptor-antagonists, their use and their production Dr. Karl Thomae GmbH (DE) 1993-11-03 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-20050282831-A1 Selective antagonists of A2A adenosine receptors ADORA2A, ADORA2B, ADORA3 KDM5A 3751/4885PHF8 4785/4885KDM2A 2767/4885
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B KDM5A 2742/4885PHF8 3778/4885KDM2A 3678/4885
US-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES GPR119, IAPP, DPP4 KDM5A 3710/4885PHF8 4288/4885KDM2A 3456/4885
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 KDM5A 1923/4885PHF8 4364/4885KDM2A 1823/4885
US-10759749-B2 Therapeutic agent for diabetes GPR119, IAPP, DPP4 KDM5A 2668/4885PHF8 3596/4885KDM2A 2495/4885

“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.