SCHEMBL3688964

SCHEMBL3688964

CO[Zr](OC)(OC)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 1/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 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
SCHEMBL3687648 0.95 TSHR (0.48) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL3685724 0.95 TSHR (0.48) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL1361708 0.85 TSHR (0.57) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL3684863 0.80 TSHR (0.46) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL3690537 0.80 TSHR (0.46) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL3684177 0.80 TSHR (0.46) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL3691633 0.77 TSHR (0.43) TSHRIDO1AGXTALDH1A1L3MBTL1
SCHEMBL3692838 0.77 TSHR (0.43) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL3691396 0.77 TSHR (0.43) TSHRIDO1AGXTALDH1A1MAOB
SCHEMBL3694893 0.77 TSHR (0.43) TSHRIDO1AGXTALDH1A1L3MBTL1

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 2623/4885AGXT 569/4885
US-20080033194-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS ACSL6, ALKBH3, ACSL1 TSHR 1811/4885IDO1 2623/4885AGXT 569/4885
US-20080009648-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS ACSL6, ALKBH3, ACSL1 TSHR 1811/4885IDO1 2623/4885AGXT 569/4885

“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.