SCHEMBL17877148

SCHEMBL17877148

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.36
TSHR P16473 3/20 0.36
ACHE P22303 7/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
EPHX1 P07099 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
PTGIR P43119 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
SCHEMBL18467727 0.89 ALDH1A1 (0.38) ALDH1A1THRBTSHRACHEEPHX1
SCHEMBL18672218 0.88 ALDH1A1 (0.37) ALDH1A1THRBTSHRACHEEPHX1
SCHEMBL17875652 0.87 THRB (0.38) ALDH1A1THRBTSHR
SCHEMBL21547336 0.84 ACHE (0.44) ALDH1A1THRBTSHRACHE
SCHEMBL17875657 0.83 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL154983 0.82 ALDH1A1 (0.53) ALDH1A1THRBTSHR
SCHEMBL17875635 0.82 TSHR (0.33) ALDH1A1THRBTSHR
SCHEMBL18467741 0.80 TSHR (0.41) ALDH1A1THRBTSHRCHRM2CHRM1
SCHEMBL13966739 0.79 ALDH1A1 (0.46) ALDH1A1THRBTSHRCHRNB2CHRNB4
SCHEMBL13976142 0.79 ALDH1A1 (0.46) ALDH1A1THRBTSHRPTGIR

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 557/4885THRB 1091/4885TSHR 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.