SCHEMBL17499019

SCHEMBL17499019

C=C(C)C(=O)OCCSSCCO

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1101353 0.92 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4536017 0.85 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL19772746 0.84 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4294879 0.83 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16441931 0.82 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13400212 0.81 TSHR (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6118126 0.81 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL29144863 0.80 TSHR (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL212008 0.79 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1040128 0.79 ALDH1A1 (0.43) TSHRALDH1A1HTT

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
CN-108785687-A A kind of preparation method of the synergistic antitumor polymeric prodrugs of more stimuli responsives 西南大学 2018-11-13 CN claimed
US-20190076467-A1 ANTIVIRAL CONJUGATES OF POLYANIONIC POLYMER AND ANTIVIRAL DRUG COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2019-03-14 US disclosed
CN-108785687-A A kind of preparation method of the synergistic antitumor polymeric prodrugs of more stimuli responsives 西南大学 2018-11-13 CN disclosed
WO-2016025747-A1 NONLINEAR COPOLYMERS AS INTRACELLULAR DELIVERY VEHICLES AND RELATED METHODS STAYTON PATRICK S (US) 2016-02-18 WO 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-20190076467-A1 ANTIVIRAL CONJUGATES OF POLYANIONIC POLYMER AND ANTIVIRAL DRUG SARS1, EIF2AK2, TLR3 THRB 4794/4885TSHR 4655/4885ALDH1A1 3508/4885

“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.