SCHEMBL2744658

SCHEMBL2744658

COC(OC)c1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.67
KMT2A Q03164 2/20 0.46
CASP3 P42574 2/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 1/20 0.40
FABP5 Q01469 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL30414045 0.87 EPHX2 (0.58) EPHX2KMT2ACASP3FABP5
SCHEMBL2744871 0.87 EPHX2 (0.58) EPHX2KMT2ACASP3FABP5
SCHEMBL5153820 0.85 EPHX2 (0.66) EPHX2KMT2ACASP3LMNAMAPT
SCHEMBL16977027 0.82 EPHX2 (0.75) EPHX2KMT2ALMNAMAPTMAPK1
SCHEMBL694173 0.82 EPHX2 (0.75) EPHX2KMT2ACASP3LMNAMAPT
SCHEMBL4099152 0.82 EPHX2 (0.75) EPHX2KMT2ACASP3LMNAMAPT
SCHEMBL12235823 0.81 EPHX2 (0.70) EPHX2KMT2AMAPTMAPK1HSD17B10
SCHEMBL8366872 0.80 EPHX2 (0.75) EPHX2KMT2ACASP3MAPTFABP5
SCHEMBL4678010 0.79 EPHX2 (0.70) EPHX2KMT2ACASP3LMNAMAPT
SCHEMBL2744368 0.79 EPHX2 (0.44) EPHX2KMT2ACASP3

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
US-8178579-B2 Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-15 US disclosed
US-8178579-B2 Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-15 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-7244853-B2 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-07-17 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 US disclosed
US-20040072849-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-15 US disclosed
US-20030187027-A1 Dioxanes and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-02 US disclosed
WO-2002089782-A2 DIOXANES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-11-14 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 (3 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-20030187027-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 EPHX2 1183/4885KMT2A 178/4885CASP3 4044/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 EPHX2 1101/4885KMT2A 178/4885CASP3 4036/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 EPHX2 755/4885KMT2A 152/4885CASP3 4101/4885

“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.