SCHEMBL2289588

SCHEMBL2289588

COc1ccc(C[N+](C)(C)c2ccccc2)cc1.C[N+](C)(Cc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.58
ACHE P22303 4/20 0.49
SIGMAR1 Q99720 1/20 0.49
HTT P42858 1/20 0.46
CA4 P22748 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL565171 0.98 LTA4H (0.55) LTA4HACHESIGMAR1HTTCA4
Hydrochloric Acid SCHEMBL6277766 0.96 LTA4H (0.53) LTA4HACHESIGMAR1HTTCA4
Fluoride Ion SCHEMBL4075058 0.95 LTA4H (0.52) LTA4HACHESIGMAR1HTTCA4
SCHEMBL27121989 0.95 LTA4H (0.55) LTA4HACHESIGMAR1HTTCA4
SCHEMBL23069371 0.92 LTA4H (0.49) LTA4HACHESIGMAR1HTTCA4
SCHEMBL21747569 0.92 LTA4H (0.49) LTA4HACHESIGMAR1HTTCA4
SCHEMBL3384399 0.86 LTA4H (0.44) LTA4HACHESIGMAR1HTTCA4
SCHEMBL565108 0.84 KDM4E (0.58) ACHEHTTTDP1KDM4EALDH1A1
SCHEMBL21747544 0.84 LTA4H (0.41) LTA4HACHESIGMAR1HTTCA4
Trifluoromethanesulfonic Acid SCHEMBL1269460 0.83 ACHE (0.43) LTA4HACHEHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LTA4H 2203/4885ACHE 4881/4885SIGMAR1 160/4885

“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.