SCHEMBL3685455

SCHEMBL3685455

CCCCO[Zr](OCCCC)(OCCCC)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
LTA4H P09960 2/20 0.43
CETP P11597 3/20 0.41
HPGD P15428 1/20 0.40
AR P10275 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 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
SCHEMBL3693061 1.00 TSHR (0.47) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL3694568 1.00 TSHR (0.47) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL7596230 0.95 CETP (0.44) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL7589689 0.95 CETP (0.44) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL3691633 0.89 TSHR (0.43) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL3693782 0.89 TSHR (0.43) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL3694499 0.89 TSHR (0.43) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL1361708 0.82 TSHR (0.57) TSHRALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL3684863 0.80 TSHR (0.46) TSHRALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL3690537 0.80 TSHR (0.46) TSHRALDH1A1TDP1L3MBTL1MAPK1

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 9 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
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
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 1811/4885ALDH1A1 184/4885TDP1 4138/4885
US-20080033194-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS ACSL6, ALKBH3, ACSL1 TSHR 1811/4885ALDH1A1 184/4885TDP1 4138/4885
US-20080009648-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS ACSL6, ALKBH3, ACSL1 TSHR 1811/4885ALDH1A1 184/4885TDP1 4138/4885

“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.