SCHEMBL5352751

SCHEMBL5352751

COC(=O)C(C)c1cccc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.60
PTGS2 P35354 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.52
THRB P10828 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
AOC3 Q16853 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL27606784 0.86 PTGS1 (0.56) PTGS1PTGS2L3MBTL1POLBMTNR1A
SCHEMBL28121831 0.85 PTGS1 (0.56) PTGS1PTGS2L3MBTL1TDP1MTNR1A
SCHEMBL27484110 0.85 PTGS1 (0.49) PTGS1PTGS2L3MBTL1TDP1POLB
SCHEMBL3918115 0.85 L3MBTL1 (0.55) PTGS1L3MBTL1TDP1POLBMTNR1A
SCHEMBL5110018 0.85 PTGS1 (0.74) PTGS1PTGS2L3MBTL1MEN1KMT2A
SCHEMBL8755064 0.85 PTGS1 (0.74) PTGS1PTGS2L3MBTL1MEN1KMT2A
SCHEMBL8455849 0.84 L3MBTL1 (0.54) L3MBTL1TDP1POLBTHRBMTNR1A
SCHEMBL16800683 0.84 PTGS1 (0.58) PTGS1PTGS2L3MBTL1POLBMTNR1A
SCHEMBL15641441 0.84 PTGS1 (0.73) PTGS1PTGS2L3MBTL1MTNR1AMTNR1B
SCHEMBL31635557 0.84 PTGS1 (0.73) PTGS1PTGS2L3MBTL1MTNR1AMTNR1B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472811-B2 Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist BEIGENE, LTD. (KY) 2022-10-18 US disclosed
CN-112313234-B Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2022-04-29 CN disclosed
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-07-01 US disclosed
CN-112313234-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-02-02 CN disclosed
WO-2019196803-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2019-10-17 WO disclosed
CN-107406426-A Cyclic ureas as ROCK inhibitors 百时美施贵宝公司 2017-11-28 CN disclosed
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP disclosed
US-7282618-B2 Method for the production of aryl alkenes YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2007-10-16 US disclosed
EP-1351901-A4 METHOD FOR THE PRODUCTION OF ARYL ALKENES YEDA RES & DEV (IL) 2006-05-31 EP disclosed
US-20040073075-A1 Method for the production of aryl alkenes YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2004-04-15 US disclosed
EP-1351901-A1 METHOD FOR THE PRODUCTION OF ARYL ALKENES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-10-15 EP disclosed
WO-2002055455-A1 METHOD FOR THE PRODUCTION OF ARYL ALKENES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2002-07-18 WO disclosed
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 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 (3 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-20040073075-A1 Method for the production of aryl alkenes AOC2, AOX1, AOC3 PTGS1 1891/4885PTGS2 1042/4885L3MBTL1 3459/4885
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B PTGS1 2471/4885PTGS2 1864/4885L3MBTL1 4543/4885
US-11472811-B2 Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist ADORA2A, ADORA3, ADORA2B PTGS1 2471/4885PTGS2 1864/4885L3MBTL1 4543/4885

“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.