SCHEMBL6394120

SCHEMBL6394120

O=C1OC(=O)c2c(-c3ccccc3)ccc3c(S(=O)(=O)O)ccc1c23

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.36
▸ TYMS P04818 4/20 0.36
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ TNNI3 P19429 2/20 0.35
▸ TNNT2 P45379 2/20 0.35
▸ TNNC1 P63316 2/20 0.35
▸ CHAT P28329 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ HKDC1 Q2TB90 1/20 0.35
▸ KDM4A O75164 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ ALPL P05186 1/20 0.34
▸ PLCG1 P19174 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6395177 0.84 TYMS (0.40) CHEK1TYMSAURKAAURKBCHAT
SCHEMBL6395588 0.82 AURKA (0.39) TYMSAURKAAURKBTNNI3TNNT2
SCHEMBL6388165 0.81 CHAT (0.38) CHEK1TYMSCHATSNCAL3MBTL1
SCHEMBL6394547 0.80 AURKA (0.35) TYMSAURKAAURKBTNNI3TNNT2
SCHEMBL6390026 0.80 TYMS (0.35) TYMSAURKAAURKBTNNI3TNNT2
SCHEMBL6388412 0.78 AURKA (0.34) TYMSAURKAAURKBTNNI3TNNT2
SCHEMBL6393902 0.78 TYMS (0.39) CHEK1TYMSAURKAAURKBTNNI3
SCHEMBL6389286 0.78 TYMS (0.41) TYMSAURKAAURKBCHATSNCA
SCHEMBL30203973 0.77 TYMS (0.54) TYMSAURKAAURKBCHATSNCA
SCHEMBL1710169 0.77 TYMS (0.54) TYMSAURKAAURKBCHATSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050040373-A1 Dopant and conductive polymer material therewith MITSUI CHEMICALS, INC. (JP) 2005-02-24 — — US disclosed
US-6814888-B2 FOR PRODUCING SOLID ELECTROLYTIC CAPACITOR MITSUI CHEMICALS, INC. (JP) 2004-11-09 — — US disclosed
US-20030142462-A1 Dopant agent and electroconductive polymer material comprising the same MITSUI CHEMICALS, INC. (JP) 2003-07-31 — — 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-20030142462-A1 Dopant agent and electroconductive polymer material comprising the same RPS6, H1-10, H1-0 CHEK1 1404/4885TYMS 4742/4885AURKA 2164/4885

“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.

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