SCHEMBL13265474

SCHEMBL13265474

CC(C)(C)CC(C)(C)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CYP2B6 P20813 1/20 0.32
NPC1 O15118 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
SCHEMBL11989197 0.97 ALDH1A1 (0.43) ALDH1A1POLBCYP2B6NPC1
SCHEMBL24663779 0.88 CYP2B6 (0.34) ALDH1A1POLBCYP2B6NPC1
SCHEMBL23874582 0.81 ALDH1A1 (0.43) ALDH1A1POLB
SCHEMBL14584067 0.79 ALDH1A1 (0.42) ALDH1A1POLB
SCHEMBL14544270 0.79 CYP2B6 (0.31) ALDH1A1POLBCYP2B6
SCHEMBL24001047 0.79 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL23710924 0.77 ALDH1A1 (0.41) ALDH1A1POLB
SCHEMBL20343324 0.77 POLB (0.45) ALDH1A1POLB
SCHEMBL14544207 0.77 CYP2B6 (0.33) CYP2B6NPC1
SCHEMBL13700092 0.77 ALDH1A1 (0.41) ALDH1A1POLB

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-20210145812-A1 AMINOAMIDE COMPOUNDS BIOTHERYX, INC. (US) 2021-05-20 US disclosed
US-7750007-B2 Imidazo[1,2-beta]pyridazine and pyrazolo[1,5-alpha]pyrimidine derivatives and their use as protein kinase inhibitors SUPERGEN, INC. (US) 2010-07-06 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-20210145812-A1 AMINOAMIDE COMPOUNDS DNPEP, BCAT2, AADAT ALDH1A1 3250/4885POLB 3207/4885CYP2B6 4544/4885

“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.