SCHEMBL17875652

SCHEMBL17875652

C=C(C)C(=O)OCCNC(=O)OCC1CCC(OC)CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 3/20 0.34

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
SCHEMBL18467727 0.87 ALDH1A1 (0.38) THRBALDH1A1TSHR
SCHEMBL17877148 0.87 ALDH1A1 (0.38) THRBALDH1A1TSHR
SCHEMBL18672218 0.86 ALDH1A1 (0.37) THRBALDH1A1TSHR
SCHEMBL28167943 0.83 ALDH1A1 (0.50) THRBALDH1A1TSHR
SCHEMBL21547336 0.82 ACHE (0.44) THRBALDH1A1TSHR
SCHEMBL17875657 0.81 ALDH1A1 (0.33) THRBALDH1A1TSHR
SCHEMBL17875635 0.80 TSHR (0.33) THRBALDH1A1TSHR
SCHEMBL13976142 0.76 ALDH1A1 (0.46) THRBALDH1A1TSHR
SCHEMBL13966739 0.76 ALDH1A1 (0.46) THRBALDH1A1TSHR
SCHEMBL10457112 0.76 ALDH1A1 (0.67) THRBALDH1A1TSHR

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 THRB 1091/4885ALDH1A1 557/4885TSHR 2203/4885

“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.