SCHEMBL4574677

SCHEMBL4574677

CCOC(OCC)(P=O)SCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL27959617 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10435582 0.63 ALDH1A1 (0.38) ALDH1A1HIF1A
SCHEMBL6701234 0.62 CYP2D6 (0.45) CYP2D6ALDH1A1CYP2C19HIF1A
SCHEMBL2223767 0.62
SCHEMBL8725908 0.62 CYP2D6 (0.45) CYP2D6ALDH1A1CYP2C19HIF1A
SCHEMBL11591784 0.60 CYP2D6 (0.38) CYP2D6ALDH1A1CYP2C19HIF1A
SCHEMBL4031715 0.58 FFAR3 (0.39) CYP2D6ALDH1A1CYP2C19HIF1A
SCHEMBL13130591 0.58 HSD17B10 (0.38) CYP2D6ALDH1A1CYP2C19HIF1A
Glycolic Acid SCHEMBL9013528 0.58 ALDH1A1 (0.37) CYP2D6ALDH1A1CYP2C19HIF1A
SCHEMBL13129910 0.58 CYP2D6 (0.42) CYP2D6ALDH1A1CYP2C19HIF1A

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-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof JERINI AG (DE) 2008-08-14 US disclosed
EP-1703912-A1 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF Jerini AG (DE) 2006-09-27 EP disclosed
WO-2005063259-A1 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2005-07-14 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 (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-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof CCNB1, CCNB2, CCNA1 CYP2D6 1594/4885ALDH1A1 1521/4885CYP2C19 757/4885

“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.