SCHEMBL29598992

SCHEMBL29598992

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nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.44
NR1I2 O75469 2/20 0.44
PTGS2 P35354 2/20 0.44
PGR P06401 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 7/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
CYP19A1 P11511 4/20 0.39
MAPT P10636 4/20 0.39
PPARG P37231 3/20 0.39
OXER1 Q8TDS5 3/20 0.39
RXRA P19793 2/20 0.39
FFAR1 O14842 2/20 0.39
LPAR2 Q9HBW0 3/20 0.38
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 1/20 0.38

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
SCHEMBL19973827 1.00 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL15649523 1.00 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL18603985 1.00 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL890952 1.00 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL890953 1.00 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL31509232 0.88 FAAH (0.52) ADORA3PGRALDH1A1CYP3A4ALOX15
SCHEMBL19810171 0.86 PPARA (0.37) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL19810169 0.86 PPARA (0.37) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL19810168 0.86 PPARA (0.37) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL19810170 0.86 PPARA (0.37) ADORA3NR1I2PTGS2PGRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116098279-A Matcha flavor imparting composition 长谷川香料株式会社 2023-05-12 CN disclosed
CN-116103086-A Tea flavor imparting composition 长谷川香料株式会社 2023-05-12 CN disclosed
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same T. HASEGAWA CO., LTD. (JP) 2022-05-17 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-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same TAS2R1, TAS1R1, TAS2R10 ADORA3 4056/4885NR1I2 2145/4885PTGS2 823/4885

“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.