SCHEMBL17875634

SCHEMBL17875634

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.31
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
SCHEMBL14368844 0.85 TSHR (0.49) TSHRLMNAMAPK1HTTTHRB
SCHEMBL17875638 0.83 TSHR (0.40) TSHRLMNAMAPK1HTTTHRB
SCHEMBL2405254 0.81 TSHR (0.54) TSHRLMNAMAPK1HTTTHRB
SCHEMBL23409634 0.80 TSHR (0.62) TSHRLMNAMAPK1HTTTHRB
SCHEMBL13872035 0.80 TSHR (0.44) TSHRLMNAMAPK1HTTTHRB
SCHEMBL14327215 0.79 TSHR (0.43) TSHRLMNAMAPK1HTTTHRB
SCHEMBL17875635 0.77 TSHR (0.33) TSHRTHRBALDH1A1
SCHEMBL12310200 0.77 TSHR (0.45) TSHRLMNAMAPK1HTTTHRB
SCHEMBL17875651 0.76 TSHR (0.34) TSHR
SCHEMBL23976089 0.75 TSHR (0.42) TSHRLMNAMAPK1HTTTHRB

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 2203/4885LMNA 2696/4885MAPK1 2615/4885

“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.