SCHEMBL6389470

SCHEMBL6389470

O=C1OC(=O)c2cc3ccccc3c3c(S(=O)(=O)O)ccc1c23

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 6/20 0.45
▸ CHAT P28329 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ CTRB1 P17538 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ TTR P02766 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MPL P40238 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ATIC P31939 1/20 0.35

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
SCHEMBL6391678 0.82 TYMS (0.42) TYMSCHATSNCATTRFABP4
SCHEMBL4882248 0.80 TYMS (0.37) TYMSCHATSNCATTRALDH1A1
SCHEMBL6389286 0.80 TYMS (0.41) TYMSCHATSNCAMAOAMAOB
SCHEMBL17119897 0.78 TYMS (0.36) TYMSCHATSNCACYP1A2ALOX15
SCHEMBL6388165 0.77 CHAT (0.38) TYMSCHATSNCATTRFABP4
SCHEMBL6390636 0.77 ALDH1A1 (0.40) TYMSMAOAMAOBCES1CYP2D6
SCHEMBL1710169 0.76 TYMS (0.54) TYMSCHATSNCATTRALDH1A1
SCHEMBL30203973 0.76 TYMS (0.54) TYMSCHATSNCATTRALDH1A1
SCHEMBL6391690 0.75 SNCA (0.37) TYMSCHATSNCAALOX15MEN1
SCHEMBL6389483 0.75 TIMP3 (0.39) TYMSTTRCYP2C9CYP2C19ALDH1A1

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 4742/4885CHAT 4032/4885SNCA 37/4885

“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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