SCHEMBL13239074

SCHEMBL13239074

CC(=O)C(O)C(O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL18561767 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7123845 0.77 TSHR (0.50) ALDH1A1
SCHEMBL18574411 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL22853564 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19229748 0.74 TP53 (0.32)
SCHEMBL18561768 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL58897 0.73 LMNA (0.42) ALDH1A1
SCHEMBL14366518 0.73 LMNA (0.42) ALDH1A1
SCHEMBL18211555 0.72 ALDH1A1 (0.37) ALDH1A1
SCHEMBL109374 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170057942-A1 ISOQUINOLINE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2017-03-02 US disclosed
US-7763649-B2 Carotenoid analogs or derivatives for controlling connexin 43 expression CARDAX PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-7521584-B2 Carotenoid analogs or derivatives for the inhibition and amelioration of disease CARDAX PHARMACEUTICALS, INC. (US) 2009-04-21 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-20170057942-A1 ISOQUINOLINE DERIVATIVES AND USE THEREOF KCNQ3, KCNQ5, KCNQ4 ALDH1A1 550/4885

“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.