SCHEMBL6389217

SCHEMBL6389217

CC(C)Cc1cc2c3c(ccc(S(=O)(=O)O)c3c1)C(=O)OC2=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 5/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ IKBKE Q14164 1/20 0.30
▸ TBK1 Q9UHD2 1/20 0.30
▸ PGAM1 P18669 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30

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
SCHEMBL6392030 0.86 NPC1 (0.39) TYMSNPC1ALDH1A1LMNAMAPT
SCHEMBL6394520 0.84 TYMS (0.34) TYMSNPC1ALDH1A1LMNAMAPT
SCHEMBL6390631 0.81 PTPRB (0.35) TYMSNPC1ALDH1A1LMNAMAPK1
SCHEMBL6390770 0.81 FABP3 (0.36) TYMSCYP1A2MAPTSMN1; SMN2PGAM1
SCHEMBL6390637 0.79 TYMS (0.38) TYMSALDH1A1MAPTMAPK1PGAM1
SCHEMBL6389483 0.77 TIMP3 (0.39) TYMSCYP1A2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6390574 0.77 ELANE (0.38) TYMSCYP1A2L3MBTL1AURKAAURKB
SCHEMBL6390530 0.76 ELANE (0.39) TYMSBCHEACHEPGAM1
SCHEMBL6386963 0.76 ALDH1A1 (0.40) TYMSNPC1ALDH1A1LMNAMAPT
SCHEMBL6395149 0.75 ELANE (0.36) TYMSCYP1A2

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 4742/4885BCHE 4498/4885ACHE 4268/4885

“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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