SCHEMBL8135657

SCHEMBL8135657

CC/C=C\CCCCOC(=O)CC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.57
ALDH1A1 P00352 5/20 0.51
LPAR2 Q9HBW0 3/20 0.51
LPAR3 Q9UBY5 3/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
LPAR1 Q92633 1/20 0.51
TSHR P16473 1/20 0.51
FAAH O00519 1/20 0.51
NR1I2 O75469 2/20 0.50
PTGS2 P35354 2/20 0.50
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
PDE4D Q08499 1/20 0.50
MGLL Q99685 1/20 0.45
MAPT P10636 3/20 0.44
F7 P08709 2/20 0.44
F3 P13726 2/20 0.44

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
SCHEMBL20446700 1.00 NAAA (0.57) NAAAALDH1A1LPAR2LPAR3CYP3A4
SCHEMBL20446701 1.00 NAAA (0.57) NAAAALDH1A1LPAR2LPAR3CYP3A4
SCHEMBL10607420 0.87 NAAA (0.71) NAAAALDH1A1LPAR2LPAR3LPAR1
SCHEMBL6436754 0.87 NAAA (0.78) NAAAALDH1A1ALOX15HSD17B10FAAH
SCHEMBL29009478 0.87 NAAA (0.71) NAAAALDH1A1LPAR2LPAR3LPAR1
SCHEMBL11094238 0.87 NAAA (0.78) NAAAALDH1A1ALOX15HSD17B10FAAH
SCHEMBL3892460 0.87 NAAA (0.78) NAAAALDH1A1ALOX15HSD17B10FAAH
SCHEMBL3892454 0.87 NAAA (0.78) NAAAALDH1A1ALOX15HSD17B10FAAH
SCHEMBL10607416 0.87 NAAA (0.71) NAAAALDH1A1LPAR2LPAR3LPAR1
SCHEMBL30810191 0.87 NAAA (0.71) NAAAALDH1A1LPAR2LPAR3LPAR1

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
JP-10067707-A None JP disclosed
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 US disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 US disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed
US-6072077-A COMPUNDS HAVING INTENSIVE MANGO AROMA, FLAVOR INTENSIFYING AND ROUNDING ACTION HAARMANN & REIMER, GMBH (DE) 2000-06-06 US disclosed
JP-H1067707-A 5-Z-OCTENYL ESTERS, THEIR PRODUCTION AND THEIR USE HAARMANN & REIMER GMBH 1998-03-10 JP 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 NAAA 981/4885ALDH1A1 978/4885LPAR2 3941/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 NAAA 981/4885ALDH1A1 978/4885LPAR2 3941/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 NAAA 981/4885ALDH1A1 978/4885LPAR2 3941/4885

“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.