SCHEMBL736786

SCHEMBL736786

O=C(N=NC(=O)OCC1CC2C=CC1C2)OCC1CC2C=CC1C2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.37
TDP1 Q9NUW8 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 2/20 0.34
POLB P06746 2/20 0.34
ALOX15 P16050 1/20 0.34
PKM P14618 3/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2327752 1.00 KDM4E (0.37) KDM4ETDP1ALDH1A1LMNAEPHX2
SCHEMBL16705148 0.92 KDM4E (0.38) KDM4ETDP1ALDH1A1LMNAEPHX2
SCHEMBL16704804 0.92 KDM4E (0.38) KDM4ETDP1ALDH1A1LMNAEPHX2
SCHEMBL14434848 0.84 KDM4E (0.39) KDM4ETDP1ALDH1A1LMNAEPHX2
SCHEMBL4401217 0.84 KDM4E (0.39) KDM4ETDP1ALDH1A1LMNAEPHX2
SCHEMBL18587123 0.82 KDM4E (0.41) KDM4ETDP1ALDH1A1LMNAEPHX2
SCHEMBL13443362 0.81 KDM4E (0.40) KDM4ETDP1ALDH1A1LMNAEPHX2
SCHEMBL123010 0.81 KDM4E (0.40) KDM4ETDP1ALDH1A1LMNAEPHX2
SCHEMBL22604704 0.81 KDM4E (0.38) KDM4ETDP1ALDH1A1LMNAEPHX2
SCHEMBL14544703 0.81 KDM4E (0.40) KDM4ETDP1ALDH1A1LMNAEPHX2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US claimed
JP-2009538338-A 2009-11-05 JP claimed
EP-2019690-A2 PREPARATION OF POLYMER CONJUGATES OF VLA-4 ANTAGONISTS VIA A MITSUNOBU'S REACTION Elan Pharmaceuticals Inc. (US) 2009-02-04 EP claimed
US-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. 2008-02-07 US claimed
WO-2007137260-A2 PREPARATION OF POLYMER CONJUGATES OF VLA-4 ANTAGONISTS VIA A MITSUNOBU' S REACTION ELAN PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA LIMITED (IL) 2013-02-21 US disclosed
EP-2533636-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES Mapi Pharma Limited (IL) 2012-12-19 EP disclosed
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
WO-2011099010-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA HOLDINGS (CYPRUS) LIMITED (CY) 2011-08-18 WO disclosed
EP-2019690-A2 PREPARATION OF POLYMER CONJUGATES OF VLA-4 ANTAGONISTS VIA A MITSUNOBU'S REACTION Elan Pharmaceuticals Inc. (US) 2009-02-04 EP disclosed
US-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. 2008-02-07 US disclosed
WO-2007137260-A2 PREPARATION OF POLYMER CONJUGATES OF VLA-4 ANTAGONISTS VIA A MITSUNOBU' S REACTION ELAN PHARMACEUTICALS, INC. (US) 2007-11-29 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 (2 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-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds PIGO, MANBA, OAT KDM4E 3348/4885TDP1 869/4885ALDH1A1 174/4885
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES CYP2F1, CYP4F3, CYP2D6 KDM4E 504/4885TDP1 4036/4885ALDH1A1 1830/4885

“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.