SCHEMBL17453044

SCHEMBL17453044

OCCSCCCSCC(O)CSCCO

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
ROCK2 O75116 1/20 0.32

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
SCHEMBL927428 0.89 TDP1 (0.53) TDP1ROCK2
SCHEMBL2214299 0.87 TDP1 (0.50) TDP1ROCK2
SCHEMBL24098178 0.87 TDP1 (0.50) TDP1ROCK2
SCHEMBL2423730 0.81 TDP1 (0.77) TDP1ROCK2
SCHEMBL8762439 0.80 TDP1 (0.43) TDP1ROCK2
SCHEMBL18755597 0.80 TDP1 (0.43) TDP1ROCK2
SCHEMBL8169577 0.79 TDP1 (0.47) TDP1ROCK2
SCHEMBL4585746 0.79
SCHEMBL23344441 0.79 LMNA (0.42)
SCHEMBL12441835 0.78 TDP1 (0.41) TDP1ROCK2

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
US-9605105-B2 Method for producing polythiol compound, polymerizable composition for optical material, and uses thereof MITSUI CHEMICALS, INC. (JP) 2017-03-28 US disclosed
US-9605105-B2 Method for producing polythiol compound, polymerizable composition for optical material, and uses thereof MITSUI CHEMICALS, INC. (JP) 2017-03-28 US disclosed
US-20160017085-A1 METHOD FOR PRODUCING POLYTHIOL COMPOUND, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND USES THEREOF MITSUI CHEMICALS., INC. (JP) 2016-01-21 US disclosed
US-20160017085-A1 METHOD FOR PRODUCING POLYTHIOL COMPOUND, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND USES THEREOF MITSUI CHEMICALS., INC. (JP) 2016-01-21 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-20160017085-A1 METHOD FOR PRODUCING POLYTHIOL COMPOUND, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND USES THEREOF CTH, TREH, TST TDP1 3245/4885ROCK2 3251/4885

“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.