SCHEMBL15980581

SCHEMBL15980581

CCOC(CO)COCOC(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
THRB P10828 1/20 0.31
USP2 O75604 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
SCHEMBL14848965 0.91 THRB (0.33) ALDH1A1CNR1CNR2THRBUSP2
SCHEMBL15980571 0.87 ALDH1A1 (0.30) ALDH1A1CNR1CNR2
SCHEMBL16656647 0.84 ALDH1A1 (0.33) ALDH1A1CNR1CNR2USP2
SCHEMBL29017451 0.84 ALDH1A1 (0.36) ALDH1A1CNR1CNR2THRBUSP2
SCHEMBL304955 0.84 ALDH1A1 (0.36) ALDH1A1CNR1CNR2THRBUSP2
SCHEMBL14848972 0.82 ALDH1A1 (0.35) ALDH1A1CNR1CNR2USP2
SCHEMBL337832 0.81
Ethylene SCHEMBL23276997 0.80 ALDH1A1 (0.33) ALDH1A1CNR1CNR2THRBUSP2
SCHEMBL5765642 0.78 USP2 (0.47) ALDH1A1CNR1CNR2USP2
SCHEMBL9446799 0.78 ALDH1A1 (0.48) ALDH1A1CNR1CNR2THRBUSP2

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-20140241988-A1 METHODS AND COMPOSITIONS FOR TREATING ATRIAL FIBRILLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-28 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-20140241988-A1 METHODS AND COMPOSITIONS FOR TREATING ATRIAL FIBRILLATION RYR2, FABP3, CA3 ALDH1A1 439/4885CNR1 888/4885CNR2 580/4885

“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.