SCHEMBL4087312

SCHEMBL4087312

C=C(C)C(=O)OCCCOC=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
THRB P10828 1/20 0.48
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.38
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.32
ATM Q13315 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
SCHEMBL22698176 0.96 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL19884699 0.96 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23378084 0.94 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL164047 0.88 THRB (0.57) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL28190576 0.86 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28189930 0.86 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL182045 0.85 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL278570 0.85 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9162964 0.83 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11600594 0.83 TSHR (0.69) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115108-A1 POLYMERIZABLE PHOSPHORIC ACID DERIVATIVES COMPRISING A POLYALICYLIC STRUCTURE ELEMENT VOCO GMBH (DE) 2012-05-10 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-20120115108-A1 POLYMERIZABLE PHOSPHORIC ACID DERIVATIVES COMPRISING A POLYALICYLIC STRUCTURE ELEMENT CAD, PCBP1, PPIP5K2 TSHR 4604/4885THRB 3418/4885POLB 591/4885

“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.