SCHEMBL17875633

SCHEMBL17875633

C=CC(=O)OCC(C)(COC(=O)C=C)NC(=O)OCC1CCC(COC(=O)C(F)C(F)(F)F)CC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL13715090 0.88 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL17875658 0.81 TSHR (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL17875646 0.80 TSHR (0.35) ALDH1A1TP53CYP3A4HIF1A
SCHEMBL17875631 0.78
SCHEMBL17875653 0.77 TSHR (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL15294445 0.76 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL15297214 0.74 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL15297265 0.74 TSHR (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL21099654 0.73 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL15297226 0.72 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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 ALDH1A1 557/4885TP53 1890/4885CYP3A4 272/4885

“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.