SCHEMBL3734274

SCHEMBL3734274

COc1cc(F)c(OC)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
IDO1 P14902 1/20 0.42
EP300 Q09472 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NQO1 P15559 1/20 0.41
TUBB4A P04350 4/20 0.40
TUBB P07437 4/20 0.40
TUBA3C P0DPH7 4/20 0.40
TUBA1B P68363 4/20 0.40
TUBA4A P68366 4/20 0.40

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
SCHEMBL30503944 0.81 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1MAPK1IDO1
SCHEMBL3670609 0.81 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1MAPK1IDO1
SCHEMBL29741516 0.78 KDM4E (0.56) SMN1; SMN2KDM4EALDH1A1MAPK1IDO1
SCHEMBL3760438 0.78 KDM4E (0.56) SMN1; SMN2KDM4EALDH1A1MAPK1IDO1
SCHEMBL3747262 0.76 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1MAPK1IDO1
SCHEMBL30678878 0.76 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1MAPK1IDO1
SCHEMBL21830347 0.76 ALDH1A1 (0.54) SMN1; SMN2KDM4EALDH1A1MAPK1IDO1
SCHEMBL12603984 0.76 MAPK1 (0.54) SMN1; SMN2KDM4EALDH1A1MAPK1IDO1
SCHEMBL5651922 0.76 IDO1 (0.57) SMN1; SMN2KDM4EALDH1A1MAPK1IDO1
SCHEMBL17765084 0.76 EP300 (0.55) SMN1; SMN2KDM4EALDH1A1MAPK1IDO1

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 9 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
EP-2203161-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Indiana University Research and Technology Corporation (US) 2010-07-07 EP disclosed
WO-2009042544-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2009-04-02 WO 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 SMN1; SMN2 4316/4885KDM4E 2642/4885ALDH1A1 210/4885

“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.