SCHEMBL13080225

SCHEMBL13080225

COc1c(Cl)c(/C=C(\C)C(=O)NCCCCCCNC(=O)CCCCC[C@H]2NC(=O)NC2C)c(OC)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.52
ALDH1A1 P00352 5/20 0.52
NR2E3 Q9Y5X4 3/20 0.52
MAPK10 P53779 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PPARG P37231 2/20 0.52
NCOR2 Q9Y618 2/20 0.52
HPGD P15428 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
ABL1 P00519 7/20 0.43
RIN1 Q13671 7/20 0.43
NSD2 O96028 3/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
IDE P14735 1/20 0.38
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL13079425 1.00 TDP1 (0.52) TDP1ALDH1A1NR2E3MAPK10L3MBTL1
SCHEMBL13049469 1.00 TDP1 (0.52) TDP1ALDH1A1NR2E3MAPK10L3MBTL1
SCHEMBL13894719 0.95 TDP1 (0.50) TDP1ALDH1A1NR2E3MAPK10L3MBTL1
SCHEMBL13894631 0.92 TDP1 (0.51) TDP1ALDH1A1NR2E3MAPK10L3MBTL1
SCHEMBL13079434 0.84 TDP1 (0.51) TDP1KEAP1
SCHEMBL13049455 0.84 TDP1 (0.51) TDP1KEAP1
SCHEMBL13079659 0.83 TDP1 (0.48) TDP1ALDH1A1NR2E3MAPK10L3MBTL1
SCHEMBL13079435 0.82 KEAP1 (0.35) TDP1ALDH1A1NR2E3MAPK10L3MBTL1
SCHEMBL13049585 0.82 KEAP1 (0.35) TDP1ALDH1A1NR2E3MAPK10L3MBTL1
SCHEMBL13049468 0.82 KEAP1 (0.35) TDP1ALDH1A1NR2E3MAPK10L3MBTL1

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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 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-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF APEX1, NQO1, REV1 TDP1 118/4885ALDH1A1 210/4885NR2E3 1323/4885

“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.