SCHEMBL8437066

SCHEMBL8437066

Cc1cc(OCCCO)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ FFAR1 O14842 2/20 0.44
▸ PDE2A O00408 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.43
▸ PDIA6 Q15084 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ PDK2 Q15119 1/20 0.41
▸ CARM1 Q86X55 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL8257779 0.91 CYP3A4 (0.45) TP53GAAFFAR1FFAR4PDIA6
SCHEMBL14474330 0.85 MCL1 (0.46) PDE2APDIA6CARM1DRD2DRD4
SCHEMBL21894123 0.85 MMP13 (0.50) FFAR1PDE2AFFAR4PDIA6MMP13
SCHEMBL18263365 0.84 CARM1 (0.48) TP53GAAFFAR1FFAR4PDIA6
SCHEMBL2091121 0.83 HTR2A (0.41) TP53GAAFFAR1FFAR4PDIA6
SCHEMBL23473367 0.81 PTGS1 (0.45) FFAR1PDE2APDE10APDIA6PDK2
SCHEMBL21601187 0.81 CARM1 (0.45) PDIA6MMP13PDK2CARM1SMN1; SMN2
SCHEMBL5988421 0.81 PDIA6 (0.49) TP53GAAPDIA6MMP13CARM1
SCHEMBL8256695 0.80 PDE2A (0.43) FFAR1PDE2APDIA6MMP13CARM1
SCHEMBL18263533 0.79 GAA (0.68) TP53GAADRD2MCL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TP53 4034/4885GAA 2125/4885FFAR1 114/4885

“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.

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