SCHEMBL13782575

SCHEMBL13782575

CC(C)(C)CNC(CO)(CO)CO

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
SCHEMBL1793858 0.78 MEN1 (0.32) MEN1KMT2A
SCHEMBL14518604 0.77 HTT (0.35)
SCHEMBL16229092 0.73 TSHR (0.41)
SCHEMBL1792512 0.69 LMNA (0.37)
SCHEMBL2349676 0.69 ALDH1A1 (0.31)
SCHEMBL21451343 0.69
SCHEMBL823098 0.67 NPSR1 (0.34)
SCHEMBL12831280 0.67 HTT (0.33)
SCHEMBL23052783 0.67 TSHR (0.32) CYP2D6CYP2C19
SCHEMBL21451342 0.67 NAALAD2 (0.36) CYP2D6CYP2C19

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-8865686-B2 Tetracycline compounds as tyrosyl-DNA phosphodiesterase I inhibitors THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2014-10-21 US disclosed
US-20090176747-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT NATIONAL INSTITUTES OF HEALTH (US) 2009-07-09 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-20090176747-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TDP1, TDP2, TARDBP MEN1 3718/4885CYP2D6 3578/4885CYP2C19 4149/4885

“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.