SCHEMBL544072

SCHEMBL544072

C=C(C)C(=O)OCCOCCc1cc(C(=O)O)cc(C(=O)O)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.30
SERPINE1 P05121 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
SCHEMBL1269730 0.94 POLB (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL16243654 0.89 POLB (0.49) THRBPOLBAPEX1HTTTDP1
SCHEMBL1020562 0.88 HTT (0.51) THRBPOLBAPEX1HTTTDP1
SCHEMBL1535487 0.78 HTT (0.57) THRBPOLBAPEX1HTTTDP1
SCHEMBL16243613 0.78 POLB (0.37) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL29052705 0.77 POLB (0.49) THRBPOLBAPEX1HTTTDP1
SCHEMBL2787758 0.76 POLB (0.52) THRBPOLBAPEX1HTTTDP1
SCHEMBL17800992 0.75 POLB (0.51) THRBPOLBAPEX1HTTTDP1
SCHEMBL5525853 0.75 ALDH1A1 (0.34) POLBAPEX1HTTTDP1ALDH1A1
SCHEMBL12394952 0.74 POLB (0.47) THRBPOLBAPEX1HTTTDP1

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-8110625-B2 Rubber composition BRIDGESTONE CORPORATION (JP) 2012-02-07 US disclosed
US-20100298488-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2010-11-25 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-20100298488-A1 RUBBER COMPOSITION RAD50, RAD54L, VCL THRB 3667/4885POLB 613/4885APEX1 1618/4885

“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.