SCHEMBL3755837

SCHEMBL3755837

COc1c(C=O)c(OC)c2ccccc2c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MCL1 Q07820 1/20 0.51
ERN1 O75460 2/20 0.45
SLC2A1 P11166 2/20 0.44
POLB P06746 2/20 0.41
PADI4 Q9UM07 1/20 0.41
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
MAPT P10636 2/20 0.41
IDO1 P14902 1/20 0.41
LCK P06239 1/20 0.41
GLA P06280 1/20 0.41
THRB P10828 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL13894558 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL10488238 0.85 ALDH1A1 (0.65) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL3743499 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL30194974 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL20123247 0.82 MCL1 (0.51) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL3743862 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL3805142 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL3749542 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL3756046 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1
SCHEMBL13080208 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1SMN1; SMN2MCL1

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 8 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
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 ALDH1A1 210/4885KDM4E 2642/4885MAPK1 2142/4885

“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.