SCHEMBL2745012

SCHEMBL2745012

O=Cc1ccc(-c2cccc(CNC(=O)OCC3c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
KMT2A Q03164 2/20 0.45
PADI3 Q9ULW8 1/20 0.44
PADI4 Q9UM07 1/20 0.44
AOC3 Q16853 2/20 0.41
OPRD1 P41143 1/20 0.38
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 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
SCHEMBL2745029 0.93 EPHX2 (0.47) EPHX2KMT2APADI3PADI4AOC3
SCHEMBL18688055 0.88 EPHX2 (0.50) EPHX2KMT2AOPRD1CASP3
SCHEMBL2744215 0.87 KMT2A (0.52) EPHX2KMT2AOPRD1CASP3
SCHEMBL1921443 0.83 KMT2A (0.50) EPHX2KMT2APADI3PADI4EPHX1
SCHEMBL2744031 0.83 EPHX2 (0.43) EPHX2KMT2APADI3PADI4AOC3
SCHEMBL2744370 0.83 KMT2A (0.48) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL30466803 0.80 EPHX2 (0.47) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL20530636 0.80 EPHX2 (0.47) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL1855344 0.80 EPHX2 (0.53) EPHX2KMT2AEPHX1
SCHEMBL6478104 0.80 TSHR (0.50) PADI3PADI4AOC3

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 EPHX2 1183/4885KMT2A 178/4885PADI3 1732/4885
US-20040072849-A1 Dioxanes and uses thereof UTS2R, HDAC5, AMDHD2 EPHX2 1101/4885KMT2A 178/4885PADI3 1541/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 EPHX2 755/4885KMT2A 152/4885PADI3 1277/4885

“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.