SCHEMBL13108239

SCHEMBL13108239

C=C(C)C(=O)OCOP(C)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.41
BTN3A1 O00481 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SAT1 P21673 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
SCHEMBL11810640 0.86 TSHR (0.45) TSHRALDH1A1THRBBTN3A1POLB
SCHEMBL17705188 0.86 TSHR (0.45) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL2020675 0.86 TSHR (0.45) TSHRALDH1A1THRBBTN3A1POLB
SCHEMBL21051155 0.83 TSHR (0.47) TSHRALDH1A1THRBPOLBAPEX1
SCHEMBL10018234 0.82 THRB (0.53) TSHRALDH1A1THRBBTN3A1POLB
SCHEMBL11474626 0.81 TSHR (0.41) TSHRALDH1A1THRBBTN3A1
SCHEMBL14444211 0.79 TSHR (0.58) TSHRALDH1A1THRBBTN3A1POLB
SCHEMBL17676125 0.79 TSHR (0.53) TSHRALDH1A1THRBBTN3A1POLB
SCHEMBL16715912 0.79 THRB (0.46) TSHRALDH1A1THRBBTN3A1TDP1
SCHEMBL14019302 0.79 ALDH1A1 (0.40) TSHRALDH1A1BTN3A1SAT1

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-20140161901-A1 DENTAL COMPOSITION ZIMMER DENTAL, INC. (US) 2014-06-12 US disclosed
US-7811601-B2 Naphazoline nitrate; hydrophilic; copolymer of hydroxyalkyl acrylate, alkylphosphate ester of methacrylic acid, methacrylamide; ionic gel SEED CO., LTD. (JP) 2010-10-12 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-20140161901-A1 DENTAL COMPOSITION CAD, PPIP5K2, PTH1R TSHR 3937/4885ALDH1A1 3775/4885THRB 1732/4885

“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.