SCHEMBL22375124

SCHEMBL22375124

C=C(C)C(=O)O[C@H]1[C@H](C)CC2CO[C@H]21

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL14602061 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL10064066 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL354852 0.74 ALDH1A1 (0.38) ALDH1A1
SCHEMBL23494201 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL28783829 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL1906601 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL22374999 0.73 BCHE (0.39) ALDH1A1
SCHEMBL19261106 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL19223181 0.72 ALDH1A1 (0.42) ALDH1A1
SCHEMBL16265958 0.71 ALDH1A1 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384094-B2 Chiral auxiliaries and uses thereof Greatrex, Ben (AU) 2022-07-12 US disclosed
US-20200270267-A1 CHIRAL AUXILIARIES AND USES THEREOF UNIVERSITY OF NEW ENGLAND (AU) 2020-08-27 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-11384094-B2 Chiral auxiliaries and uses thereof PIN1, CRY1, PIN4 ALDH1A1 703/4885
US-20200270267-A1 CHIRAL AUXILIARIES AND USES THEREOF PIN1, CRY1, PIN4 ALDH1A1 703/4885

“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.