SCHEMBL17875638

SCHEMBL17875638

C=CC(=O)OCCNC(=O)OCC(C)OC(=O)C(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.30

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
SCHEMBL17875634 0.83 TSHR (0.40) TSHRALDH1A1LMNAMAPK1HTT
SCHEMBL24485545 0.83 TSHR (0.44) TSHRALDH1A1CYP3A4LMNAHPGD
SCHEMBL25784322 0.81 TSHR (0.43) TSHRALDH1A1CYP3A4LMNAHPGD
SCHEMBL23412244 0.80 TSHR (0.62) TSHRALDH1A1CYP3A4LMNAHPGD
SCHEMBL13872039 0.80 TSHR (0.44) TSHRALDH1A1CYP3A4LMNAHPGD
SCHEMBL17875653 0.80 TSHR (0.39) TSHRALDH1A1CYP3A4MAPK1TP53
SCHEMBL25784890 0.79 TSHR (0.38) TSHRALDH1A1CYP3A4LMNAHPGD
SCHEMBL25993798 0.78 TSHR (0.44) TSHRALDH1A1CYP3A4LMNAHPGD
SCHEMBL26078407 0.77 TSHR (0.45) TSHRALDH1A1CYP3A4LMNAHPGD
SCHEMBL17875632 0.76 TSHR (0.34) TSHR

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 557/4885CYP3A4 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.