SCHEMBL2744246

SCHEMBL2744246

COC(OC)c1ccc(-c2ccccc2CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
FABP3 P05413 2/20 0.44
EPHX2 P34913 1/20 0.42
CASP3 P42574 1/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL2744544 0.87 KMT2A (0.49) KMT2AFABP5EPHX2CASP3
SCHEMBL2744031 0.84 EPHX2 (0.43) KMT2AEPHX2MDM4TP53MDM2
SCHEMBL7920181 0.82 KMT2A (0.52) KMT2AFABP5FABP7FABP3EPHX2
SCHEMBL2744370 0.81 KMT2A (0.48) KMT2AFABP5FABP7FABP3EPHX2
SCHEMBL2744871 0.80 EPHX2 (0.58) KMT2AFABP5EPHX2CASP3MDM2
SCHEMBL30414045 0.80 EPHX2 (0.58) KMT2AFABP5EPHX2CASP3MDM2
SCHEMBL2744368 0.78 EPHX2 (0.44) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL20530670 0.78 EPHX2 (0.46) KMT2AFABP5FABP7FABP3EPHX2
SCHEMBL15540431 0.78 KMT2A (0.55) KMT2AEPHX2CASP3MDM2
SCHEMBL20530627 0.77 EPHX2 (0.47) KMT2AFABP5FABP7FABP3EPHX2

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 6 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-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 KMT2A 178/4885FABP5 4632/4885FABP7 4775/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 KMT2A 178/4885FABP5 4666/4885FABP7 4794/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 KMT2A 152/4885FABP5 4752/4885FABP7 4828/4885

“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.