SCHEMBL7719508

SCHEMBL7719508

COCC(OC)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.38
CHRNA7 P36544 1/20 0.37
ACHE P22303 2/20 0.36
AGXT P21549 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FFAR1 O14842 1/20 0.35
MAPT P10636 1/20 0.34
HCRTR2 O43614 5/20 0.34

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
SCHEMBL10785818 0.87 AOC3 (0.38) AOC3CHRNA7ACHEAGXTALDH1A1
SCHEMBL10785811 0.87 CHRNA7 (0.41) CHRNA7ACHEAGXTALDH1A1KDM4E
SCHEMBL6094770 0.83 AOC3 (0.37) AOC3CHRNA7ACHEALDH1A1TDP1
SCHEMBL11125287 0.83 ESR1 (0.45) AOC3ACHEALDH1A1KDM4ETDP1
SCHEMBL13383679 0.82 ACHE (0.41) AOC3ACHEALDH1A1FFAR1MAPT
SCHEMBL31737779 0.81 AOC3 (0.58) AOC3ALDH1A1TDP1FFAR1
SCHEMBL8250967 0.81 SLC6A4 (0.38) AOC3ALDH1A1KDM4EMAPT
SCHEMBL7762719 0.80 MEN1 (0.35) AOC3CHRNA7ACHEALDH1A1KDM4E
SCHEMBL8750362 0.80 AOC3 (0.39) AOC3CHRNA7ACHEALDH1A1TDP1
SCHEMBL8095037 0.80 HTR2C (0.40) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117747759-A Sodium ion battery negative electrode pre-sodium treatment reagent and pre-sodium treatment method 上海交通大学 2024-03-22 CN disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-6395854-B1 ORGANOMETALLIC INITIATOR IN SOLVENT WITH DIETHER OF POLYALKYLENE GLYCOL FOR POLYMERIZATION OF TERT-BUTOXYSTYRENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-05-28 US 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 (1 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 AOC3 320/4885CHRNA7 75/4885ACHE 634/4885

“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.