SCHEMBL3433405

SCHEMBL3433405

O=C(OCCOc1ccc2ccccc2c1)c1ccc(C(=O)OCCOc2ccc3ccccc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPK1 P28482 1/20 0.59
MAPT P10636 6/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PTPN7 P35236 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PPARG P37231 4/20 0.53
PPARD Q03181 3/20 0.53
PPARA Q07869 3/20 0.53
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HDAC1 Q13547 1/20 0.51
CPT2 P23786 1/20 0.50
CPT1A P50416 1/20 0.50
CPT1B Q92523 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL19849755 0.94 PKM (0.59) TDP1KDM4EMAPK1MAPTMEN1
SCHEMBL19844153 0.93 L3MBTL1 (0.51) TDP1KDM4EMAPK1MAPTMEN1
SCHEMBL10597694 0.85 KDM4E (0.65) TDP1KDM4EMAPK1MAPTMEN1
SCHEMBL27691343 0.84 HRH3 (0.64) TDP1KDM4EMAPK1MAPTMEN1
SCHEMBL21422363 0.82 KDM4E (0.61) TDP1KDM4EMAPK1MAPTMEN1
SCHEMBL29045152 0.82 KDM4E (0.61) TDP1KDM4EMAPK1MAPTMEN1
SCHEMBL3434811 0.82 PKM (0.59) TDP1KDM4EMAPK1MAPTMEN1
SCHEMBL3434351 0.81 RAB9A (0.69) TDP1KDM4EMAPTMEN1KMT2A
SCHEMBL22146533 0.81 TDP1 (0.66) TDP1KDM4EMAPK1MAPTMEN1
SCHEMBL14579705 0.81 L3MBTL1 (0.51) TDP1MAPK1MAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957223-B2 Bis(aryloxyalkyl) esters of aromatic polycarboxylic acids and method of preparation ETHOX CHEMICALS LLC (US) 2018-05-01 US disclosed
US-9957223-B2 Bis(aryloxyalkyl) esters of aromatic polycarboxylic acids and method of preparation ETHOX CHEMICALS LLC (US) 2018-05-01 US disclosed
US-20180037535-A1 NOVEL BIS(ARYLOXYALKYL) ESTERS OF AROMATIC POLYCARBOXYLIC ACIDS AND METHOD OF PREPARATION FIRST NATIONAL BANK OF PENNSYLVANIA 2018-02-08 US disclosed
US-20180037535-A1 NOVEL BIS(ARYLOXYALKYL) ESTERS OF AROMATIC POLYCARBOXYLIC ACIDS AND METHOD OF PREPARATION FIRST NATIONAL BANK OF PENNSYLVANIA 2018-02-08 US disclosed
US-9409852-B2 Bis(aryloxyalkyl) esters of aromatic polycarboxylic acids and method of preparation ETHOX CHEMICALS, LLC (US) 2016-08-09 US disclosed
US-9409852-B2 Bis(aryloxyalkyl) esters of aromatic polycarboxylic acids and method of preparation ETHOX CHEMICALS, LLC (US) 2016-08-09 US disclosed
US-20140031578-A1 NOVEL BIS(ARYLOXYALKYL) ESTERS OF AROMATIC POLYCARBOXYLIC ACIDS AND METHOD OF PREPARATION ETHOX CHEMICALS, LLC 2014-01-30 US disclosed
US-20140031578-A1 NOVEL BIS(ARYLOXYALKYL) ESTERS OF AROMATIC POLYCARBOXYLIC ACIDS AND METHOD OF PREPARATION ETHOX CHEMICALS, LLC 2014-01-30 US disclosed
US-20120100323-A1 Novel bis(ARYLOXYALKYL) esters of aromatic polycarboxylic acids and method of preparation ETHOX CHEMICALS, LLC 2012-04-26 US disclosed
US-20120100323-A1 Novel bis(ARYLOXYALKYL) esters of aromatic polycarboxylic acids and method of preparation ETHOX CHEMICALS, LLC 2012-04-26 US 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-20140031578-A1 NOVEL BIS(ARYLOXYALKYL) ESTERS OF AROMATIC POLYCARBOXYLIC ACIDS AND METHOD OF PREPARATION AHR, AR, ARNT TDP1 4722/4885KDM4E 1017/4885MAPK1 4628/4885
US-20180037535-A1 NOVEL BIS(ARYLOXYALKYL) ESTERS OF AROMATIC POLYCARBOXYLIC ACIDS AND METHOD OF PREPARATION AHR, AR, ARNT TDP1 4713/4885KDM4E 1009/4885MAPK1 4641/4885
US-20120100323-A1 Novel bis(ARYLOXYALKYL) esters of aromatic polycarboxylic acids and method of preparation AHR, AR, ARNT TDP1 4713/4885KDM4E 1009/4885MAPK1 4641/4885

“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.