SCHEMBL10167808

SCHEMBL10167808

CC#CC#C[S+](C#CC#CC)CC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
CES1 P23141 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 4/20 0.40
GSK3B P49841 2/20 0.40
PTPN1 P18031 2/20 0.40
HIF1A Q16665 2/20 0.40
TRPA1 O75762 1/20 0.40
HDAC1 Q13547 3/20 0.40

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
SCHEMBL12009243 0.82 TDP1 (0.42) L3MBTL1TDP1MAPTLMNAKMT2A
SCHEMBL28587168 0.74 L3MBTL1 (0.49) L3MBTL1TDP1MAPTLMNAKMT2A
Benzophenone SCHEMBL28587169 0.72 ALDH1A1 (0.67) L3MBTL1TDP1MAPTLMNAKMT2A
SCHEMBL29543776 0.71 HSP90AA1 (0.50) L3MBTL1TDP1MAPTKMT2AMAPK1
SCHEMBL686321 0.70 KMT2A (0.56) L3MBTL1TDP1MAPTLMNAKMT2A
SCHEMBL565176 0.70 MAPT (0.56) L3MBTL1TDP1MAPTLMNAKMT2A
SCHEMBL562504 0.69 MAPK1 (0.61) L3MBTL1TDP1MAPTLMNAKMT2A
SCHEMBL1128350 0.69 TDP1 (0.50) L3MBTL1TDP1MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL60929 0.69 KMT2A (0.54) L3MBTL1TDP1MAPTLMNAKMT2A
Bromide SCHEMBL394250 0.69 KMT2A (0.54) L3MBTL1TDP1MAPTLMNAKMT2A

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-8110333-B2 Resist composition containing novel sulfonium compound, pattern-forming method using the resist composition, and novel sulfonium compound FUJIFILM CORPORATION (JP) 2012-02-07 US disclosed
US-20090042124-A1 RESIST COMPOSITION CONTAINING NOVEL SULFONIUM COMPOUND, PATTERN-FORMING METHOD USING THE RESIST COMPOSITION, AND NOVEL SULFONIUM COMPOUND FUJIFILM CORPORATION (JP) 2009-02-12 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-20090042124-A1 RESIST COMPOSITION CONTAINING NOVEL SULFONIUM COMPOUND, PATTERN-FORMING METHOD USING THE RESIST COMPOSITION, AND NOVEL SULFONIUM COMPOUND ADH5, SRRM2, ADH1A L3MBTL1 4584/4885TDP1 4667/4885MAPT 4291/4885

“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.