SCHEMBL22053017

SCHEMBL22053017

C[C@@H]1CC[C@H]2C(C)(C)[C@@H](C)C(C)(O)C(O)C[C@]12C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL25820020 0.80 ALDH1A1 (0.37) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL19984445 0.77 ALDH1A1 (0.34) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL25820125 0.77 ALOX15 (0.41) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL18789463 0.74 ALDH1A1 (0.36) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL26022084 0.71 ALDH1A1 (0.38) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL25819931 0.71 ALDH1A1 (0.38) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL15095714 0.69 ALDH1A1 (0.35) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL24245791 0.68 ALOX15 (0.57) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL22892039 0.68 ALOX15 (0.57) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL24245779 0.68 ALOX15 (0.57) ALDH1A1LMNATHRBALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066625-B2 Blends containing enantiomerically pure Ambrocenide® SYMRISE AG (DE) 2021-07-20 — — US disclosed
US-20200172830-A1 BLENDS CONTAINING ENANTIOMERICALLY PURE AMBROCENIDE® SYMRISE AG (DE) 2020-06-04 — — 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 (2 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-20200172830-A1 BLENDS CONTAINING ENANTIOMERICALLY PURE AMBROCENIDE® OR51E2, CYP1B1, QDPR ALDH1A1 431/4885LMNA 3423/4885THRB 2491/4885
US-11066625-B2 Blends containing enantiomerically pure Ambrocenide® OR51E2, CYP1B1, QDPR ALDH1A1 431/4885LMNA 3423/4885THRB 2491/4885

“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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