SCHEMBL3434759

SCHEMBL3434759

OCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
LTA4H P09960 1/20 0.39
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
CYP2A6 P11509 1/20 0.34
APOBEC3G Q9HC16 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NPC1 O15118 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL682975 0.85 TDP1 (0.48) TSHRLTA4HCA12CA1CA2
Iodide SCHEMBL546036 0.83 TDP1 (0.47) TSHRLTA4HCA12CA1CA2
SCHEMBL10167772 0.80 TDP1 (0.44) TSHRCA12CA1CA2CA4
SCHEMBL2742131 0.80 TP53 (0.44) CYP2A6NPC1KIF11
SCHEMBL2611737 0.79 CA2 (0.41) LTA4HCA2MAOB
SCHEMBL107598 0.77 CA12 (0.38) LTA4HNPC1CA12CA1CA2
SCHEMBL13008823 0.76 PARP10 (0.35) LTA4HPRSS1PRSS2PRSS3NPC1
Acetic Acid SCHEMBL3775709 0.76 TSHR (0.39) TSHRCA12CA1CA2CA4
SCHEMBL47563 0.75 ALDH1A1 (0.30) TSHRCYP2A6
SCHEMBL2611733 0.73 ALDH1A1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094235-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-04-19 US disclosed
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-7858289-B2 Positive resist composition for electron beam, X-ray or EUV and pattern forming method using the same FUJIFILM CORPORATION (JP) 2010-12-28 US disclosed
US-20090111047-A1 POSITIVE RESIST COMPOSITION FOR ELECTRON BEAM, X-RAY OR EUV AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-30 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 TSHR 2329/4885LTA4H 4809/4885PRSS1 2471/4885

“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.