SCHEMBL17868579

SCHEMBL17868579

C=CC(=O)OCC(CCN=C=O)COC(=O)C=C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
ALDH1A1 P00352 4/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.33

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
SCHEMBL21019104 0.84 TSHR (0.51) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1170956 0.83 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
Propene SCHEMBL28871904 0.79 TSHR (0.49) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL32689755 0.78 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29233061 0.77 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23633199 0.77 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL124929 0.77 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
Oxirane SCHEMBL15456008 0.76 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
Oxirane SCHEMBL15454909 0.76 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL25228296 0.76 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604918-B2 Carboxylic acid ester/carbamate compound with polymerizable functional group and fluorine atom group, and manufacturing method therefor UNIMATEC CO., LTD. (JP) 2017-03-28 US disclosed
EP-3127897-A1 CARBOXYLIC ESTER / CARBAMATE COMPOUND WITH POLYMERIZABLE FUNCTIONAL GROUP AND FLUORINE ATOM GROUP, AND MANUFACTURING METHOD THEREFOR Unimatec Co., Ltd. (JP) 2017-02-08 EP disclosed
US-20160185714-A1 CARBOXYLIC ACID ESTER/CARBAMATE COMPOUND WITH POLYMERIZABLE FUNCTIONAL GROUP AND FLUORINE ATOM GROUP, AND MANUFACTURING METHOD THEREFOR UNIMATEC CO., LTD. (JP) 2016-06-30 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 (1 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-20160185714-A1 CARBOXYLIC ACID ESTER/CARBAMATE COMPOUND WITH POLYMERIZABLE FUNCTIONAL GROUP AND FLUORINE ATOM GROUP, AND MANUFACTURING METHOD THEREFOR FFAR2, DECR2, FFAR1 TSHR 2203/4885ALDH1A1 557/4885TP53 1890/4885

“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.