SCHEMBL3751223

SCHEMBL3751223

CCC/C(=C\c1c(Cl)c(OC)c2ccccc2c1OC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 7/20 0.40
PTGES O14684 3/20 0.36
ALOX5 P09917 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35
SLC2A1 P11166 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGER4 P35408 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
SCHEMBL3751227 1.00 APEX1 (0.40) APEX1PTGESALOX5KDM4EALDH1A1
SCHEMBL13080052 1.00 APEX1 (0.40) APEX1PTGESALOX5KDM4EALDH1A1
SCHEMBL13894721 0.91 APEX1 (0.38) APEX1PTGESALOX5KDM4EALDH1A1
SCHEMBL13080081 0.91 KDM4E (0.37) APEX1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL13080079 0.91 KDM4E (0.37) APEX1KDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL3806859 0.90 APEX1 (0.52) APEX1PTGESALOX5KDM4EALDH1A1
SCHEMBL3806858 0.90 APEX1 (0.52) APEX1PTGESALOX5KDM4EALDH1A1
SCHEMBL13080077 0.90 APEX1 (0.52) APEX1PTGESALOX5KDM4EALDH1A1
SCHEMBL13080054 0.87 MAPT (0.41) KDM4EALDH1A1MAPK1SMN1; SMN2SLC2A1
SCHEMBL13079653 0.87 MAPT (0.41) KDM4EALDH1A1MAPK1SMN1; SMN2SLC2A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203161-B1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIV INDIANA RES & TECH CORP (US) 2018-05-09 EP disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-9089605-B2 Quinone derivatives, pharmaceutical compositions, and uses thereof INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-07-28 US disclosed
US-20100297113-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF PURDUE RESEARCH FOUNDATION 2010-11-25 US disclosed
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 APEX1 1/4885PTGES 2346/4885ALOX5 1880/4885

“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.