SCHEMBL29655326

SCHEMBL29655326

CCCCC[C@@H](CC)OC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.42
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
OPRM1 P35372 1/20 0.39
TRPA1 O75762 1/20 0.38
DDAH1 O94760 1/20 0.38
GAPDH P04406 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
FDPS P14324 4/20 0.34
SMPD1 P17405 3/20 0.34
GPR84 Q9NQS5 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33

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
SCHEMBL276891 1.00 CTSK (0.42) CTSKTSHRSMN1; SMN2ADH1BADH1C
SCHEMBL28553530 0.98 ADH1B (0.42) CTSKTSHRSMN1; SMN2ADH1BADH1C
SCHEMBL18188022 0.98 ADH1B (0.42) CTSKTSHRSMN1; SMN2ADH1BADH1C
SCHEMBL18188004 0.98 ADH1B (0.42) CTSKTSHRSMN1; SMN2ADH1BADH1C
SCHEMBL3040229 0.98 ADH1B (0.42) CTSKTSHRSMN1; SMN2ADH1BADH1C
SCHEMBL76606 0.98 ADH1B (0.42) CTSKTSHRSMN1; SMN2ADH1BADH1C
Ethane SCHEMBL28250178 0.98 CTSK (0.41) CTSKTSHRSMN1; SMN2ADH1BADH1C
SCHEMBL18187976 0.98 ADH1B (0.42) CTSKTSHRSMN1; SMN2ADH1BADH1C
SCHEMBL4138238 0.93 CTSK (0.47) CTSKTSHRSMN1; SMN2PRKCAPRKCD
SCHEMBL18188026 0.91 OPRM1 (0.42) CTSKTSHRSMN1; SMN2ADH1BADH1C

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 5 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

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 CTSK 3504/4885TSHR 3246/4885SMN1; SMN2 1778/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 CTSK 3504/4885TSHR 3246/4885SMN1; SMN2 1778/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 CTSK 3504/4885TSHR 3246/4885SMN1; SMN2 1778/4885

“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.