SCHEMBL6389354

SCHEMBL6389354

O=C1OC(=O)c2c3ccccc3cc3cc(S(=O)(=O)O)cc1c23

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.46
▸ TYMS P04818 5/20 0.40
▸ CYP2C9 P11712 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ DNASE1L3 Q13609 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ CASP6 P55212 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ RHOA P61586 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ NT5E P21589 2/20 0.35
▸ HIF1A Q16665 2/20 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
SCHEMBL6390636 0.82 ALDH1A1 (0.40) CES1TYMSCYP2C9MAPK1CYP1A2
SCHEMBL6390858 0.81 NT5E (0.44) TYMSCYP2C9ALDH1A1CASP6CYP2C19
SCHEMBL6390622 0.77 TYMS (0.41) TYMSCYP2C9MAPK1ALDH1A1CASP6
SCHEMBL31004042 0.77 TYMS (0.58) TYMSMEN1KMT2A
SCHEMBL4702822 0.77 TYMS (0.58) TYMSMEN1KMT2A
SCHEMBL6389286 0.77 TYMS (0.41) CES1TYMSCYP2C9CYP1A2MAOA
SCHEMBL6390629 0.77 TYMS (0.38) TYMSCYP2C9CYP1A2ALDH1A1CASP6
SCHEMBL580216 0.76 CES1 (0.65) CES1TYMSMAPK1CYP1A2MAOA
SCHEMBL6389537 0.75 TYMS (0.44) TYMSCYP2C9ALDH1A1CASP6CYP2C19
SCHEMBL6390635 0.75 TYMS (0.36) TYMSCYP2C9ALDH1A1CASP6CYP2C19

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 CES1 3458/4885TYMS 4742/4885CYP2C9 4539/4885

“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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