SCHEMBL20109902

SCHEMBL20109902

CCOC(=O)C#C/C=C(\C)CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GLO1 Q04760 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL18123279 0.87 ALDH1A1 (0.32) ALDH1A1LMNAHSD17B10GLO1
SCHEMBL20115609 0.77
SCHEMBL12779381 0.76 ALDH1A1 (0.41) ALDH1A1TDP1
SCHEMBL6847856 0.74 ALDH1A1 (0.36) ALDH1A1LMNATDP1HSD17B10TP53
SCHEMBL10594010 0.71
SCHEMBL31134166 0.71 NPSR1 (0.48) ALDH1A1LMNATDP1HSD17B10GLO1
SCHEMBL15482412 0.71 NPSR1 (0.48) ALDH1A1LMNATDP1HSD17B10GLO1
SCHEMBL18446 0.70 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10GLO1CYP2D6
SCHEMBL3144067 0.68 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10
SCHEMBL497771 0.67 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118764-A1 ALPHA-AMINO PATEAMINE A DERIVATIVES AND METHODS FOR TREATING CHRONIC LYMPHOCYTIC LEUKEMIA THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-05-03 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-20180118764-A1 ALPHA-AMINO PATEAMINE A DERIVATIVES AND METHODS FOR TREATING CHRONIC LYMPHOCYTIC LEUKEMIA MCL1, PNMT, GNMT ALDH1A1 552/4885LMNA 438/4885TDP1 264/4885

“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.