SCHEMBL18789464

SCHEMBL18789464

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ST6GAL1 P15907 1/20 0.33
▸ CYP17A1 P05093 2/20 0.33
▸ CYP19A1 P11511 2/20 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
SCHEMBL25820125 0.77 ALOX15 (0.41) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL22053555 0.72 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18789479 0.72 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL12896580 0.72 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL26022514 0.72 ALOX15 (0.41) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL22892113 0.70 ALOX15 (0.41) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL19538327 0.70 ALOX15 (0.41) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18788952 0.69 ALDH1A1 (0.33) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18788964 0.69 ALDH1A1 (0.33) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL25819971 0.68 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1

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-10526563-B2 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) 2020-01-07 — — US disclosed
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 (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-10526563-B2 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 ALOX15 1444/4885ALDH1A1 395/4885LMNA 3905/4885
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 ALOX15 1463/4885ALDH1A1 378/4885LMNA 3901/4885

“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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