SCHEMBL16874352

SCHEMBL16874352

CCC=CCOC(=O)CCCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
DGKA P23743 2/20 0.57
PAM P19021 2/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NR1I2 O75469 1/20 0.50
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
PTGS2 P35354 1/20 0.50
PDE4D Q08499 1/20 0.50
MAPT P10636 1/20 0.49
LMNA P02545 2/20 0.47
DNM1 Q05193 1/20 0.47
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL19260200 1.00 TSHR (0.62) TSHRDGKAPAMALDH1A1CYP3A4
SCHEMBL16874358 0.98 TSHR (0.66) TSHRDGKAPAMALDH1A1CYP3A4
SCHEMBL16874344 0.98 TSHR (0.66) TSHRDGKAPAMALDH1A1CYP3A4
SCHEMBL16874336 0.98 TSHR (0.66) TSHRDGKAPAMALDH1A1CYP3A4
SCHEMBL31538276 0.93 TSHR (0.60) TSHRDGKAPAMALDH1A1CYP3A4
SCHEMBL22832725 0.93 TSHR (0.60) TSHRDGKAPAMALDH1A1CYP3A4
SCHEMBL22832724 0.93 TSHR (0.60) TSHRDGKAPAMALDH1A1CYP3A4
SCHEMBL8744230 0.88 TSHR (0.60) TSHRDGKAPAMALDH1A1CYP3A4
SCHEMBL8744225 0.88 TSHR (0.60) TSHRDGKAPAMALDH1A1CYP3A4
SCHEMBL830241 0.87 TSHR (0.61) TSHRDGKAPAMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 US 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
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
US-10695277-B2 Pro-fragrance composition AQDOT LIMITED (GB) 2020-06-30 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
US-20190046426-A1 PRO-FRAGRANCE COMPOSITION AQDOT LIMITED (GB) 2019-02-14 US disclosed
EP-3416729-A1 PRO-FRAGRANCE COMPOSITION Aqdot Limited (GB) 2018-12-26 EP disclosed
WO-2017141030-A1 PRO-FRAGRANCE COMPOSITION AQDOT LIMITED (GB) 2017-08-24 WO disclosed
US-20150191607-A1 Anti-fouling Paints and Coatings REACTIVE SURFACES, LTD (US) 2015-07-09 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 (7 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 TSHR 3246/4885DGKA 1682/4885PAM 3654/4885
US-20200157463-A1 PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME TAS1R1, TAS2R1, TAS1R2 TSHR 1423/4885DGKA 2936/4885PAM 1926/4885
US-20190046426-A1 PRO-FRAGRANCE COMPOSITION COPS5, COPS8, CBR3 TSHR 4423/4885DGKA 3100/4885PAM 2385/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 TSHR 3246/4885DGKA 1682/4885PAM 3654/4885
US-11332694-B2 Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same TAS2R1, TAS1R1, TAS2R10 TSHR 1742/4885DGKA 2259/4885PAM 1249/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 TSHR 3246/4885DGKA 1682/4885PAM 3654/4885
US-10695277-B2 Pro-fragrance composition COPS5, COPS8, CBR3 TSHR 4423/4885DGKA 3100/4885PAM 2385/4885

“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.