SCHEMBL3433394

SCHEMBL3433394

O=C(OCCOc1cccc2ccccc12)c1ccc(C(=O)OCCOc2cccc3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR1B P28222 6/20 0.54
KCNA3 P22001 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HTR1D P28221 2/20 0.50
OGG1 O15527 1/20 0.50
BCL2 P10415 3/20 0.49
MCL1 Q07820 3/20 0.49
BCL2L1 Q07817 2/20 0.49
BAD Q92934 2/20 0.49
ALB P02768 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
SLC6A4 P31645 1/20 0.49
HRH1 P35367 1/20 0.49
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL19849754 0.94 MRGPRX4 (0.54) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL19844156 0.93 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL10597687 0.85 KDM4E (0.63) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL10391163 0.83 KDM4E (0.57) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL1902160 0.83 KDM4E (0.64) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL10534409 0.83 KDM4E (0.57) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL5289923 0.81 HTR1B (0.77) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL27890561 0.81 ALOX5 (0.51) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL5144042 0.80 KDM4E (0.54) ALDH1A1KDM4EHPGDTDP1HTR1B
SCHEMBL28354466 0.80 KDM4E (0.57) ALDH1A1KDM4EHPGDTDP1HTR1B

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 ALDH1A1 172/4885KDM4E 1017/4885HPGD 1275/4885
US-20180037535-A1 NOVEL BIS(ARYLOXYALKYL) ESTERS OF AROMATIC POLYCARBOXYLIC ACIDS AND METHOD OF PREPARATION AHR, AR, ARNT ALDH1A1 187/4885KDM4E 1009/4885HPGD 1264/4885
US-20120100323-A1 Novel bis(ARYLOXYALKYL) esters of aromatic polycarboxylic acids and method of preparation AHR, AR, ARNT ALDH1A1 187/4885KDM4E 1009/4885HPGD 1264/4885

“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.