SCHEMBL17868577

SCHEMBL17868577

C=CC(=O)OCC(CC)(COC(=O)C=C)N=C=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4096630 0.90 ALDH1A1 (0.50) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL181576 0.79 ALDH1A1 (0.47) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL1851416 0.79 ALDH1A1 (0.47) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL27943600 0.79 ALDH1A1 (0.50) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL3026153 0.77 THRB (0.40) THRBALDH1A1TSHR
SCHEMBL17868708 0.76 ALDH1A1 (0.52) THRBALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL31138121 0.75 ALDH1A1 (0.43) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL29151971 0.75 ALDH1A1 (0.46) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL17936300 0.74 ALDH1A1 (0.50) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL7934785 0.73 TSHR (0.48) THRBALDH1A1TP53HIF1ACYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000657-B2 Fluorine-containing urethane (meth)acrylate, curable composition, and antireflective film DIC CORPORATION (JP) 2018-06-19 US disclosed
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
EP-3127897-A1 CARBOXYLIC ESTER / CARBAMATE COMPOUND WITH POLYMERIZABLE FUNCTIONAL GROUP AND FLUORINE ATOM GROUP, AND MANUFACTURING METHOD THEREFOR Unimatec Co., Ltd. (JP) 2017-02-08 EP disclosed
US-20160208131-A1 FLUORINE-CONTAINING URETHANE (METH)ACRYLATE, CURABLE COMPOSITION, AND ANTIREFLECTIVE FILM DIC CORPORATION (JP) 2016-07-21 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 (3 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 557/4885TP53 1890/4885
US-20160208131-A1 FLUORINE-CONTAINING URETHANE (METH)ACRYLATE, CURABLE COMPOSITION, AND ANTIREFLECTIVE FILM TET1, MGMT, AFF1 THRB 1411/4885ALDH1A1 343/4885TP53 4201/4885
US-10000657-B2 Fluorine-containing urethane (meth)acrylate, curable composition, and antireflective film TET1, MGMT, AFF1 THRB 1411/4885ALDH1A1 343/4885TP53 4201/4885

“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.