SCHEMBL14944833

SCHEMBL14944833

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4C Q9H3R0 12/20 0.43
KDM4A O75164 11/20 0.43
PHF8 Q9UPP1 2/20 0.43
KDM2A Q9Y2K7 2/20 0.43
KDM5A P29375 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
CA2 P00918 1/20 0.33

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
SCHEMBL7099837 0.82 KDM4C (0.42) ALDH1A1TDP1KDM4CKDM4APHF8
SCHEMBL14944834 0.72 KDM4C (0.43) ALDH1A1KDM4CKDM4APHF8KDM2A
SCHEMBL14944835 0.72 ALDH1A1 (0.47) ALDH1A1TDP1KDM4A
SCHEMBL13318882 0.66 ALDH1A1 (0.45) ALDH1A1TDP1
SCHEMBL6061060 0.66 ALDH1A1 (0.57) ALDH1A1TDP1PHF8KDM2ACA2
Methyl Isobutyl Ketone SCHEMBL15458 0.66
Methyl Isobutyl Ketone SCHEMBL1128055 0.66 ALDH1A1 (1.00) ALDH1A1TDP1CA2
Methyl Isobutyl Ketone SCHEMBL1580340 0.66
SCHEMBL21765708 0.64 ALDH1A1 (0.48) ALDH1A1TDP1PHF8KDM2ACA2
SCHEMBL801270 0.64

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-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A ALDH1A1 1149/4885TDP1 1246/4885KDM4C 20/4885

“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.