SCHEMBL3873432

SCHEMBL3873432

C=C(C)C(=O)OCC(C)C(=O)OCC(C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRR1 P24046 2/20 0.32
CYP1A2 P05177 1/20 0.32
TGFBR1 P36897 1/20 0.31

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
SCHEMBL1673788 0.94 TSHR (0.67) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28278128 0.92 TSHR (0.64) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27843082 0.83 TSHR (0.62) TSHRTHRBALDH1A1
SCHEMBL13002391 0.81 TSHR (0.64) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL27694725 0.81 TSHR (0.55) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL28521766 0.80 TSHR (0.69) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL4122484 0.80 TSHR (0.69) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL20144633 0.80 TSHR (0.58) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL21712455 0.80 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL21119078 0.79 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1772470-B1 METHOD FOR PRODUCING CARBOXYL GROUP-CONTAINING WATER-SOLUBLE POLYMER SUMITOMO SEIKA CHEMICALS (JP) 2012-09-26 EP disclosed
US-7521517-B2 Method for producing carboxyl group-containing water-soluble polymer SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2009-04-21 US disclosed
US-20070225522-A1 Method for Producing Carboxyl Group-Containing Water-Soluble Polymer SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2007-09-27 US disclosed
EP-1772470-A1 METHOD FOR PRODUCING CARBOXYL GROUP-CONTAINING WATER-SOLUBLE POLYMER SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2007-04-11 EP 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-20070225522-A1 Method for Producing Carboxyl Group-Containing Water-Soluble Polymer MMAB, ASS1, MAT1A TSHR 4559/4885THRB 3455/4885ALDH1A1 280/4885

“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.