SCHEMBL3758348

SCHEMBL3758348

COc1c(Cl)c(/C=C(\C)C(=O)O)c(OC)c(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 5/20 0.46
AKR1C3 P42330 1/20 0.36
IMPDH2 P12268 9/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCB11 O95342 1/20 0.32
TPMT P51580 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
SCHEMBL3758354 1.00 APEX1 (0.46) APEX1AKR1C3IMPDH2KDM4EALDH1A1
SCHEMBL3750251 0.81 AKR1C3 (0.45) APEX1AKR1C3KDM4EALDH1A1HSD17B10
SCHEMBL3750250 0.81 AKR1C3 (0.45) APEX1AKR1C3KDM4EALDH1A1HSD17B10
SCHEMBL3754493 0.81 AKR1C3 (0.45) APEX1AKR1C3KDM4EALDH1A1HSD17B10
SCHEMBL3752882 0.80 APEX1 (0.45) APEX1AKR1C3IMPDH2
SCHEMBL3752883 0.80 APEX1 (0.45) APEX1AKR1C3IMPDH2
SCHEMBL13049395 0.79 GPR35 (0.36) IMPDH2ALDH1A1
SCHEMBL13079654 0.78 IMPDH2 (0.33) APEX1IMPDH2KDM4EALDH1A1HSD17B10
SCHEMBL13894727 0.75 APEX1 (0.42) APEX1AKR1C3IMPDH2KDM4EALDH1A1
SCHEMBL13079655 0.74 APEX1 (0.48) APEX1IMPDH2

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 7 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-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
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 1/4885AKR1C3 933/4885IMPDH2 568/4885

“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.