SCHEMBL810800

SCHEMBL810800

C=C(C)C(=O)OCC[CH]CCOC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 4/20 0.46
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
ALOX15 P16050 1/20 0.35
CHRNB4 P30926 1/20 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
SCHEMBL810031 0.89 THRB (0.44) THRBTSHRCHRM2CHRM4CHRM5
SCHEMBL245045 0.86 THRB (0.61) THRBTSHRCHRM2CHRM4CHRM5
SCHEMBL21292110 0.86 THRB (0.61) THRBTSHRCHRM2CHRM4CHRM5
SCHEMBL27591414 0.83 TSHR (0.56) THRBTSHRCYP2C19ALDH1A1TDP1
Urea SCHEMBL7101033 0.83 THRB (0.48) THRBTSHRLMNAALDH1A1TDP1
SCHEMBL5610739 0.82 TSHR (0.60) THRBTSHRCHRM2CHRM4CHRM5
SCHEMBL3098708 0.82 TSHR (0.47) THRBTSHRALDH1A1TDP1POLB
SCHEMBL7061571 0.81 TSHR (0.69) THRBTSHRCHRM2CHRM4CHRM5
Methacrylic Acid SCHEMBL20531392 0.81 THRB (0.55) THRBTSHRCHRM2CHRM4CHRM5
SCHEMBL809330 0.80 THRB (0.53) THRBTSHRLMNAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345811-B2 Medical antimicrobial composition and medical device comprising the same TORAY INDUSTRIES, INC. (JP) 2016-05-24 US disclosed
EP-2275154-B1 ANTIBACTERIAL COMPOSITION FOR MEDICAL USE AND MEDICAL DEVICE TORAY INDUSTRIES (JP) 2015-07-01 EP disclosed
US-20140120146-A1 MEDICAL ANTIMICROBIAL COMPOSITION AND MEDICAL DEVICE COMPRISING THE SAME TORAY INDUSTRIES, INC. (JP) 2014-05-01 US disclosed
US-8652499-B2 Medical antimicrobial composition and medical device comprising the same TORAY INDUSTRIES, INC. (JP) 2014-02-18 US disclosed
EP-2275154-A1 ANTIBACTERIAL COMPOSITION FOR MEDICAL USE AND MEDICAL DEVICE Toray Industries, Inc. (JP) 2011-01-19 EP disclosed
US-20110008403-A1 MEDICAL ANTIMICROBIAL COMPOSITION AND MEDICAL DEVICE COMPRISING THE SAME TORAY INDUSTRIES, INC. (JP) 2011-01-13 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-20110008403-A1 MEDICAL ANTIMICROBIAL COMPOSITION AND MEDICAL DEVICE COMPRISING THE SAME AAAS, MMS19, MSN THRB 4581/4885TSHR 4642/4885CHRM2 4694/4885

“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.