SCHEMBL6386963

SCHEMBL6386963

CC(C)(C)c1cc2c3c(ccc(S(=O)(=O)O)c3c1)C(=O)OC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SENP8 Q96LD8 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ SENP6 Q9GZR1 2/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ TYMS P04818 6/20 0.36
▸ SNCA P37840 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TNNI3 P19429 1/20 0.32

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
SCHEMBL6390637 0.83 TYMS (0.38) ALDH1A1SENP7TYMSSNCAAURKA
SCHEMBL6389483 0.81 TIMP3 (0.39) ALDH1A1TYMSAURKAAURKBMEN1
SCHEMBL6390770 0.80 FABP3 (0.36) TYMSAURKAAURKBSMN1; SMN2MAPT
SCHEMBL6392030 0.80 NPC1 (0.39) ALDH1A1NPC1RAB9AL3MBTL1TYMS
SCHEMBL6393902 0.78 TYMS (0.39) ALDH1A1NPC1RAB9AL3MBTL1TYMS
SCHEMBL6394520 0.77 TYMS (0.34) ALDH1A1NPC1RAB9AL3MBTL1TYMS
SCHEMBL30203973 0.77 TYMS (0.54) ALDH1A1TYMSSNCAAURKAAURKB
SCHEMBL1710169 0.77 TYMS (0.54) ALDH1A1TYMSSNCAAURKAAURKB
SCHEMBL6394547 0.77 AURKA (0.35) NFKB1L3MBTL1TYMSSNCAAURKA
SCHEMBL6389217 0.76 TYMS (0.33) ALDH1A1NPC1RAB9AL3MBTL1TYMS

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 ALDH1A1 667/4885NPC1 4642/4885CASP3 4320/4885

“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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