SCHEMBL2774150

SCHEMBL2774150

CC/C=C/CCOC(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
ADORA3 P0DMS8 2/20 0.46
NR1I2 O75469 2/20 0.46
PTGS2 P35354 2/20 0.46
PGR P06401 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
CYP19A1 P11511 4/20 0.41
MAPT P10636 4/20 0.41
PPARG P37231 3/20 0.41
OXER1 Q8TDS5 3/20 0.41
RXRA P19793 2/20 0.41
FFAR1 O14842 2/20 0.41
LPAR2 Q9HBW0 2/20 0.39
LPAR3 Q9UBY5 2/20 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
SCHEMBL649880 1.00 NAAA (0.47) NAAAADORA3NR1I2PTGS2PGR
SCHEMBL649881 1.00 NAAA (0.47) NAAAADORA3NR1I2PTGS2PGR
SCHEMBL16568217 0.87 ADORA3 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL22832722 0.87 ADORA3 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL22832723 0.87 ADORA3 (0.55) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL7694874 0.87 MGAM (0.46) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL7694877 0.87 MGAM (0.46) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL20446701 0.86 NAAA (0.57) NAAAADORA3NR1I2PTGS2PGR
SCHEMBL20446700 0.86 NAAA (0.57) NAAAADORA3NR1I2PTGS2PGR
SCHEMBL8135657 0.86 NAAA (0.57) NAAAADORA3NR1I2PTGS2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226063-B1 High intensity fragrances TAKASAGO PERFUMERY CO LTD (JP) 2013-04-10 EP claimed
EP-2226063-A2 High intensity fragrances Takasago International Corporation (JP) 2010-09-08 EP claimed
CN-110869348-B Pyrrole compound, perfume composition, and cosmetic containing the same 长谷川香料株式会社 2023-09-12 CN disclosed
CN-116103086-A Tea flavor imparting composition 长谷川香料株式会社 2023-05-12 CN disclosed
CN-116098279-A Matcha 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
US-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME T. HASEGAWA CO., LTD. (JP) 2020-05-21 US disclosed
CN-110869348-A Pyrrole compound, perfume composition, and food, drink and cosmetic containing same 长谷川香料株式会社 2020-03-06 CN disclosed
US-9617216-B2 Antifungal oxodihydropyridinecarbohydrazide derivative DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-04-11 US disclosed
US-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-10-20 US disclosed
EP-2226063-B1 High intensity fragrances TAKASAGO PERFUMERY CO LTD (JP) 2013-04-10 EP disclosed
EP-2226063-A2 High intensity fragrances Takasago International Corporation (JP) 2010-09-08 EP 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-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE PITHD1, HPD, QDPR NAAA 507/4885ADORA3 880/4885NR1I2 2199/4885
US-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME TAS1R1, TAS2R1, TAS1R2 NAAA 2178/4885ADORA3 3723/4885NR1I2 1370/4885
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same TAS2R1, TAS1R1, TAS2R10 NAAA 1474/4885ADORA3 4056/4885NR1I2 2145/4885

“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.