SCHEMBL16250360

SCHEMBL16250360

C=C(C)C(=O)OCC(C)OC(=O)NC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.37
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRNA7 P36544 1/20 0.31
LMNA P02545 1/20 0.30
APEX1 P27695 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EPHX1 P07099 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
SCHEMBL9921146 0.85 TSHR (0.59) TSHRALDH1A1THRB
SCHEMBL20634880 0.85 TSHR (0.59) TSHRALDH1A1THRB
SCHEMBL18094768 0.85 TSHR (0.59) TSHRALDH1A1THRBNFKB1LMNA
SCHEMBL16281596 0.85 TSHR (0.59) TSHRALDH1A1THRB
SCHEMBL10269884 0.84 TSHR (0.53) TSHRALDH1A1THRBCHRNB2CHRNA4
SCHEMBL160208 0.83 TSHR (0.73) TSHRALDH1A1THRBCHRM2CHRM4
SCHEMBL18094676 0.83 TSHR (0.58) TSHRALDH1A1THRBCHRNB2CHRNA4
SCHEMBL18094743 0.83 TSHR (0.53) TSHRALDH1A1THRBCHRNB2CHRNA4
SCHEMBL8500979 0.82 TSHR (0.66) TSHRALDH1A1THRB
SCHEMBL20634855 0.82 TSHR (0.56) TSHRALDH1A1THRB

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-20160280807-A1 PREPARATION OF NON-ISOCYANATE URETHANE (METH) ACRYLATES FOR URETHANE FUNCTIONAL LATEX THE UNIVERSITY OF AKRON 2016-09-29 US disclosed
US-20140338550-A1 RESIN COMPOSITION FOR LASER-ENGRAVABLE FLEXOGRAPHIC PRINTING PLATE, FLEXOGRAPHIC PRINTING PLATE PRECURSOR FOR LASER-ENGRAVABLE AND PROCESS FOR PRODUCING SAME, AND FLEXOGRAPHIC PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2014-11-20 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-20160280807-A1 PREPARATION OF NON-ISOCYANATE URETHANE (METH) ACRYLATES FOR URETHANE FUNCTIONAL LATEX ACR, MUS81, ALG3 TSHR 3505/4885ALDH1A1 1076/4885THRB 1879/4885

“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.