SCHEMBL6549892

SCHEMBL6549892

CC(C)[C@@H](C)CCC(C)(C)O

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4373923 1.00 ALDH1A1 (0.47) ALDH1A1
SCHEMBL6550392 1.00 ALDH1A1 (0.47) ALDH1A1
SCHEMBL13241915 0.86 ALDH1A1 (0.45) ALDH1A1
SCHEMBL9971880 0.86 ALDH1A1 (0.45) ALDH1A1
SCHEMBL10301504 0.86 ALDH1A1 (0.45) ALDH1A1
SCHEMBL10041424 0.84 ALDH1A1 (0.43) ALDH1A1
SCHEMBL10041429 0.84 ALDH1A1 (0.43) ALDH1A1
SCHEMBL10041427 0.84 ALDH1A1 (0.43) ALDH1A1
SCHEMBL10041428 0.84 ALDH1A1 (0.43) ALDH1A1
SCHEMBL12332692 0.79 ALDH1A1 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-0933420-B1 Use of 2,5,6,-trimethyl-2-heptanol as a perfuming and a flavouring agent FIRMENICH & CIE (CH) 2004-12-01 EP claimed
EP-0933420-A2 Use of 2,5,6,-trimethyl-2-heptanol as a perfuming and a flavouring agent FIRMENICH SA (CH) 1999-08-04 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2017-10-26 US disclosed
US-8664206-B2 Diastereomers of 2-methylene-19-nor-22-methyl-1α,25-dihydroxyvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-03-04 US disclosed
WO-2013036835-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2013-03-14 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 (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-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 ALDH1A1 1946/4885
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 ALDH1A1 1946/4885

“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.