SCHEMBL18788952

SCHEMBL18788952

CC[C@]12C[C@@H]3OC(C)(C)O[C@@H]3C(C)(C)[C@@H]1CC[C@H]2C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL18788964 1.00 ALDH1A1 (0.33) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL24831153 0.78 ALDH1A1 (0.33) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL18789464 0.69 ALOX15 (0.41) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL24245829 0.68 ALDH1A1 (0.33) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL21064733 0.68 ALDH1A1 (0.33) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL18138229 0.68 ALOX15 (0.37) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL18776609 0.68 ALOX15 (0.37) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL26022514 0.66 ALOX15 (0.41) ALDH1A1LMNATHRBALOX15MAPK1
SCHEMBL10086112 0.66 — —
SCHEMBL24245769 0.66 — —

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-20170114299-A1 New mixtures having (4aR,5R,7aS,9R)-octahydro-2,2,5,8,8,9a-hexamethyl-4H-4a,9-methanoazuleno(5,6-d)-1,3-dioxole)(Ambrocenide®) SYMRISE AG (DE) 2017-04-27 — — 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-20170114299-A1 New mixtures having (4aR,5R,7aS,9R)-octahydro-2,2,5,8,8,9a-hexamethyl-4H-4a,9-methanoazuleno(5,6-d)-1,3-dioxole)(Ambrocenide®) OR51E2, OR10J3, TAS2R7 ALDH1A1 378/4885LMNA 3901/4885THRB 1241/4885

“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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