SCHEMBL3684863

SCHEMBL3684863

CCO[Zr](OCC)(OCC)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
IDO1 P14902 1/20 0.43
TP53 P04637 1/20 0.42
AGXT P21549 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
ALOX5 P09917 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL3690537 1.00 TSHR (0.46) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL3684177 1.00 TSHR (0.46) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL1361708 0.89 TSHR (0.57) TSHRIDO1AGXTALDH1A1MAPT
SCHEMBL3694499 0.83 TSHR (0.43) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL3691633 0.83 TSHR (0.43) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL3693782 0.83 TSHR (0.43) TSHRIDO1TP53AGXTALDH1A1
SCHEMBL3694568 0.80 TSHR (0.47) TSHRIDO1ALDH1A1MAPK1TDP1
SCHEMBL3685455 0.80 TSHR (0.47) TSHRIDO1ALDH1A1MAPK1TDP1
SCHEMBL3693061 0.80 TSHR (0.47) TSHRIDO1ALDH1A1MAPK1TDP1
SCHEMBL3687648 0.80 TSHR (0.48) TSHRIDO1TP53AGXTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1792889-B1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO (JP) 2015-03-04 EP disclosed
EP-1547995-B1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO (JP) 2014-05-07 EP disclosed
CN-1660764-B Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO 2010-12-08 CN disclosed
US-7741511-B2 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-22 US disclosed
US-7399873-B2 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-15 US disclosed
US-20080033194-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS SOUDA HIROSHI 2008-02-07 US disclosed
US-20080009648-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS SOUDA HIROSHI 2008-01-10 US disclosed
EP-1792889-A2 Process for the preparation of carboxylic acid esters Sumitomo Chemical Company, Limited (JP) 2007-06-06 EP disclosed
CN-1660764-A Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO (JP) 2005-08-31 CN disclosed
EP-1547995-A1 Process for the preparation of carboxylic acid esters Sumitomo Chemical Company, Limited (JP) 2005-06-29 EP disclosed
US-20050113581-A1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED 2005-05-26 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-20050113581-A1 Process for the preparation of carboxylic acid esters ACSL6, ALKBH3, ACSL1 TSHR 1811/4885IDO1 2623/4885TP53 3860/4885
US-20080033194-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS ACSL6, ALKBH3, ACSL1 TSHR 1811/4885IDO1 2623/4885TP53 3860/4885
US-20080009648-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS ACSL6, ALKBH3, ACSL1 TSHR 1811/4885IDO1 2623/4885TP53 3860/4885

“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.