SCHEMBL6389286

SCHEMBL6389286

O=C1OC(=O)c2c3ccccc3cc3c(S(=O)(=O)O)ccc1c23

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 5/20 0.41
▸ CES1 P23141 1/20 0.40
▸ CTRB1 P17538 1/20 0.37
▸ DNMT1 P26358 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PGAM1 P18669 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ CHAT P28329 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 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
SCHEMBL6389470 0.80 TYMS (0.45) TYMSCES1CTRB1MAOAMAOB
SCHEMBL2347717 0.78 TYMS (0.57) TYMSCES1DNMT1KDM4EGPR84
SCHEMBL26507159 0.78 TYMS (0.41) TYMSCES1DNMT1KDM4EKMT2A
SCHEMBL30629778 0.78 TYMS (0.57) TYMSCES1DNMT1KDM4EGPR84
SCHEMBL6394120 0.78 CHEK1 (0.36) TYMSMAOAMAOBPGAM1AURKA
SCHEMBL1710169 0.77 TYMS (0.54) TYMSAURKAAURKBCHATSNCA
SCHEMBL30203973 0.77 TYMS (0.54) TYMSAURKAAURKBCHATSNCA
SCHEMBL6389354 0.77 CES1 (0.46) TYMSCES1MAOAMAOBCYP2D6
SCHEMBL6395588 0.76 AURKA (0.39) TYMSCES1AURKAAURKBSNCA
SCHEMBL6389483 0.75 TIMP3 (0.39) TYMSAURKAAURKBMEN1KMT2A

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 TYMS 4742/4885CES1 3458/4885CTRB1 3666/4885

“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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