SCHEMBL23685845

SCHEMBL23685845

C[C@H](CCCC(C)(C)O)C1CC[C@@]2(C)C3CC=C4C(CC[C@H](OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 1/20 0.43
▸ F3 P13726 6/20 0.41
▸ PRKAG1 P54619 8/20 0.40
▸ PRKAA2 P54646 8/20 0.40
▸ PRKAB1 Q9Y478 8/20 0.40
▸ PTPN1 P18031 2/20 0.39
▸ CRYAB P02511 1/20 0.38
▸ PAX8 Q06710 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL18818006 1.00 TYR (0.43) TYRF3PRKAG1PRKAA2PRKAB1
SCHEMBL18805317 0.92 PRKAG1 (0.42) TYRF3PRKAG1PRKAA2PRKAB1
Cabenoside D SCHEMBL18805159 0.91 PRKAG1 (0.49) TYRF3PRKAG1PRKAA2PRKAB1
Cabenoside D SCHEMBL30340049 0.91 PRKAG1 (0.49) TYRF3PRKAG1PRKAA2PRKAB1
SCHEMBL29636989 0.91 PRKAG1 (0.41) TYRF3PRKAG1PRKAA2PRKAB1
SCHEMBL18815980 0.91 PRKAG1 (0.41) TYRF3PRKAG1PRKAA2PRKAB1
SCHEMBL22560309 0.90 F3 (0.43) TYRF3PTPN1
SCHEMBL18805297 0.89 PRKAG1 (0.40) TYRF3PRKAG1PRKAA2PRKAB1
SCHEMBL29521629 0.89 PRKAG1 (0.40) TYRF3PRKAG1PRKAA2PRKAB1
SCHEMBL24503392 0.89 PRKAG1 (0.40) TYRF3PRKAG1PRKAA2PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210227863-A1 HIGH INTENSITY SWEETENERS SENOMYX, INC. 2021-07-29 — — 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-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 TYR 984/4885F3 3955/4885PRKAG1 1642/4885

“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.

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