SCHEMBL20691759

SCHEMBL20691759

CCC(I)C(=O)Oc1cccc2cccc(O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ GAA P10253 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR2A P28223 3/20 0.35
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20691761 0.83 MAPT (0.42) CA12CA1CA2CA7CA9
SCHEMBL18671901 0.81 ESR1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL18671916 0.79 ALDH1A1 (0.53) RAB9AGAAKMT2AKDM4EHSD17B10
SCHEMBL20691752 0.77 MTNR1A (0.40) MAPTRAB9AGAAKMT2AKDM4E
SCHEMBL18898054 0.76 CA12 (0.37) CA12CA1CA2CA7CA9
SCHEMBL18671918 0.76 ALDH1A1 (0.39) MAPTNPC1RAB9AGAAKMT2A
SCHEMBL20691783 0.75 EGLN1 (0.35) KMT2AHSD17B10CNR2
SCHEMBL20691753 0.75 SLC6A2 (0.39) CA12CA1CA2CA7CA9
SCHEMBL20691763 0.74 ESR1 (0.39) MAPTNPC1GAAPOLBKMT2A
SCHEMBL18671904 0.72 ESR1 (0.43) MAPTNPC1RAB9AGAAPOLB

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-20190033716-A1 SULFONIUM SALT, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-01-31 — — 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-20190033716-A1 SULFONIUM SALT, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SMC4, SMCHD1, SMC3 CA12 988/4885CA1 1943/4885CA2 1318/4885

“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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