SCHEMBL17875658

SCHEMBL17875658

C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCC(COC(=O)C(F)C(F)(F)F)OC(=O)NC(C)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL13143948 0.89 TSHR (0.40) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL17875653 0.85 TSHR (0.39) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL18116394 0.83 TSHR (0.36) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL13143953 0.81 TSHR (0.34) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL17875633 0.81 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL17933314 0.80 ALDH1A1 (0.41) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL15297265 0.80 TSHR (0.41) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL14258123 0.79 ALDH1A1 (0.36) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL15294445 0.79 ALDH1A1 (0.39) TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL13143938 0.79 TSHR (0.40) TSHRALDH1A1TP53CYP3A4MAPK1

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 2 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
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.