SCHEMBL2744871

SCHEMBL2744871

COC(OC)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
KMT2A Q03164 2/20 0.49
CASP3 P42574 2/20 0.44
FABP5 Q01469 1/20 0.44
ACHE P22303 3/20 0.42
BCHE P06276 2/20 0.42
MDM2 Q00987 1/20 0.42

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 1.00 EPHX2 (0.58) EPHX2KMT2ACASP3FABP5ACHE
SCHEMBL2744658 0.87 EPHX2 (0.67) EPHX2KMT2ACASP3FABP5
SCHEMBL9220932 0.85 EPHX2 (0.55) EPHX2KMT2ACASP3MDM2
SCHEMBL2744544 0.83 KMT2A (0.49) EPHX2KMT2ACASP3FABP5
SCHEMBL14647849 0.83 EPHX2 (0.64) EPHX2KMT2ACASP3FABP5
SCHEMBL8366871 0.83 EPHX2 (0.64) EPHX2KMT2ACASP3MDM2
SCHEMBL694267 0.83 EPHX2 (0.64) EPHX2KMT2ACASP3FABP5MDM2
SCHEMBL8472723 0.83 EPHX2 (0.64) EPHX2KMT2ACASP3FABP5
SCHEMBL8366872 0.83 EPHX2 (0.75) EPHX2KMT2ACASP3FABP5ACHE
SCHEMBL17151439 0.82 EPHX2 (0.74) EPHX2KMT2ACASP3FABP5

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
WO-2017214024-A1 SILVESTROL ANTIBODY-DRUG CONJUGATES AND METHODS OF USE GENENTECH, INC. (US) 2017-12-14 WO 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-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-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.