SCHEMBL1784655

SCHEMBL1784655

CCCCC[C@H]1C[C@@]1(C)CO

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ GBA1 P04062 7/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PRKCA P17252 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ GAA P10253 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
SCHEMBL1784652 1.00 ALDH1A1 (0.34) ALDH1A1GBA1SMN1; SMN2PRKCAEPHX2
SCHEMBL2610383 0.75 — —
SCHEMBL11033685 0.75 ALDH1A1 (0.41) ALDH1A1GBA1
SCHEMBL22471680 0.74 ALDH1A1 (0.41) ALDH1A1GBA1
Ammonia Solution, Strong SCHEMBL22283017 0.73 ALDH1A1 (0.39) ALDH1A1GBA1
SCHEMBL19139101 0.70 — —
SCHEMBL17351132 0.70 ALDH1A1 (0.41) ALDH1A1GBA1
SCHEMBL15009376 0.69 — —
SCHEMBL17536922 0.69 ALDH1A1 (0.39) ALDH1A1GBA1SMN1; SMN2
SCHEMBL5986589 0.69 ALDH1A1 (0.39) ALDH1A1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450533-B2 Cyclopropanation process GIVAUDAN SA (CH) 2013-05-28 — — US disclosed
US-8450533-B2 Cyclopropanation process GIVAUDAN SA (CH) 2013-05-28 — — US disclosed
US-8450533-B2 Cyclopropanation process GIVAUDAN SA (CH) 2013-05-28 — — US disclosed
US-20110124924-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2011-05-26 — — US disclosed
US-20110124924-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2011-05-26 — — US disclosed
US-20110124924-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2011-05-26 — — US disclosed
WO-2009023980-A1 CYCLOPROPANATION PROCESS GIVAUDAN SA (CH) 2009-02-26 — — WO 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-20110124924-A1 Cyclopropanation Process CBR3, CYP4F3, DBF4 ALDH1A1 513/4885GBA1 944/4885SMN1; SMN2 3699/4885

“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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