SCHEMBL929455

SCHEMBL929455

[CH2]C1CCC(COC(C)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
NLRP3 Q96P20 2/20 0.35
PTGIR P43119 2/20 0.34
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
PDK1 Q15118 1/20 0.32
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31

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
SCHEMBL5696892 0.91 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10JAK2JAK1
SCHEMBL6256094 0.91
SCHEMBL17029138 0.91 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10JAK2JAK1
SCHEMBL23675572 0.85 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10JAK2JAK1
SCHEMBL5682345 0.85 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10JAK2JAK1
SCHEMBL5680245 0.83 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10JAK2JAK1
SCHEMBL7186641 0.83 LMNA (0.37) ALDH1A1LMNAHSD17B10JAK2JAK1
SCHEMBL10020225 0.83 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10JAK2JAK1
SCHEMBL22856596 0.83 LMNA (0.37) ALDH1A1LMNAHSD17B10JAK2JAK1
SCHEMBL3478687 0.83 NLRP3 (0.39) ALDH1A1LMNAHSD17B10JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2721100-B1 ENVIRONMENTALLY FRIENDLY COALESCING AGENTS PTT GLOBAL CHEMICAL PUBLIC CO LTD (TH) 2020-08-19 EP disclosed
US-20140213541-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH ADENOSINE THERAPEUTICS, LLC (US) 2014-07-31 US disclosed
EP-2721100-A1 ENVIRONMENTALLY FRIENDLY COALESCING AGENTS Myriant Corporation (US) 2014-04-23 EP disclosed
US-8551972-B2 Agonists of A2A adenosine receptors for treating recurrent tumor growth ADENOSINE THERAPEUTICS, LLC (US) 2013-10-08 US disclosed
US-20130123208-A1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH ADENOSINE RECEPTOR AGONISTS The Regents of the University of Colorado, a body corporation (US) 2013-05-16 US disclosed
EP-2266994-B1 2-propynyl adenosine analgos with modified 5'-ribose groups having A2A agonist activity Univ Virginia Patent Found (US) 2013-04-03 EP disclosed
EP-1778712-B1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY Univ Virginia Patent Found (US) 2013-01-30 EP disclosed
WO-2012173679-A1 ENVIRONMENTALLY FRIENDLY COALESCING AGENTS MYRIANT CORPORATION (US) 2012-12-20 WO disclosed
US-8188063-B2 A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-29 US disclosed
US-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
EP-1205498-A1 (Meth)acrylate ester-based resin composition Nippon Shokubai Co., Ltd. (JP) 2002-05-15 EP disclosed
US-20020045702-A1 (Meth)acrylate ester-based resin composition NIPPON SHOKUBAI CO., LTD. (JP) 2002-04-18 US disclosed
EP-1194440-A2 INDUCTION OF PHARMACOLOGICAL STRESS WITH ADENOSINE RECEPTOR AGONISTS THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2002-04-10 EP disclosed
EP-1184396-A1 (Meth)acrylate ester-based resin composition Nippon Shokubai Co., Ltd. (JP) 2002-03-06 EP disclosed
US-6322771-B1 PARENTERALLY ADMINISTERING TO A MAMMAL A PURINE DERIVATIVE TO DIAGNOSE CORONARY ARTERY STENOSIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-11-27 US disclosed
EP-1150991-A2 COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE THE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2001-11-07 EP disclosed
US-20010027185-A1 Methods and compositions for treating inflammatory response UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-10-04 US disclosed
US-6232297-B1 ADMINISTERING 4-AMINOPYRROLO(3,2-D)PYRIMIDINE DERIVATIVE AS ADENOSINE RECEPTOR ANTAGONIST UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2001-05-15 US disclosed
WO-2000078774-A2 INDUCTION OF PHARMACOLOGICAL STRESS WITH ADENOSINE RECEPTOR AGONISTS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-12-28 WO disclosed
WO-2000044763-A2 COMPOSITIONS FOR TREATING INFLAMMATORY RESPONSE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2000-08-03 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 (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-20130123208-A1 METHOD OF TREATING MULTIPLE SCLEROSIS WITH ADENOSINE RECEPTOR AGONISTS ADORA3, ADORA2A, ADORA2B ALDH1A1 2031/4885LMNA 2273/4885HSD17B10 4851/4885
US-20140213541-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATING RECURRENT TUMOR GROWTH ADORA2A, ADORA3, ADORA1 ALDH1A1 659/4885LMNA 4253/4885HSD17B10 3490/4885
US-20010027185-A1 Methods and compositions for treating inflammatory response LTB4R2, ADORA2A, PTGES2 ALDH1A1 1787/4885LMNA 2436/4885HSD17B10 2369/4885
US-20020045702-A1 (Meth)acrylate ester-based resin composition MNAT1, MAT1A, COPE ALDH1A1 298/4885LMNA 1220/4885HSD17B10 2025/4885

“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.