SCHEMBL12376785

SCHEMBL12376785

C=C(C)C(=O)OC12CC3CC(CC(CC(=O)OCC(F)(F)S(=O)(=O)O)(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ LMNA P02545 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
SCHEMBL25455807 0.85 — —
SCHEMBL24400985 0.84 SCN9A (0.32) ALDH1A1
SCHEMBL19042196 0.83 NPSR1 (0.36) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL10134899 0.83 NPSR1 (0.36) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL10204371 0.83 GAA (0.34) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL12376773 0.82 ALDH1A1 (0.46) ALDH1A1THRBKMT2AMEN1GAA
SCHEMBL12376809 0.82 ALDH1A1 (0.33) ALDH1A1THRBGAA
SCHEMBL18470632 0.80 ALDH1A1 (0.33) ALDH1A1THRBGAA
SCHEMBL1635598 0.79 SCN9A (0.34) ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL16386032 0.79 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691490-B2 Sulfonium salt, polymer, method for producing the polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-08 — — US disclosed
US-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-08-04 — — 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-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS RPS4Y1, ETV6, RPS4X ALDH1A1 4540/4885THRB 3747/4885KMT2A 1677/4885

“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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