SCHEMBL23519062

SCHEMBL23519062

O=C(O)C(F)(F)Oc1ccccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.42
▸ FABP7 O15540 1/20 0.40
▸ FABP3 P05413 1/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CXCL8 P10145 1/20 0.37
▸ PPARG P37231 2/20 0.36
▸ RXRA P19793 2/20 0.36
▸ RXRB P28702 2/20 0.36
▸ RXRG P48443 2/20 0.36
▸ CES1 P23141 2/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL23519089 0.81 CXCL8 (0.46) NOTUMALDH1A1KDM4EHSD17B10CXCL8
SCHEMBL24361903 0.79 NOTUM (0.43) NOTUMALDH1A1KDM4EHSD17B10RXRA
SCHEMBL23519085 0.78 CXCL8 (0.44) NOTUMALDH1A1CXCL8PPARGRXRA
SCHEMBL26124787 0.78 NOTUM (0.56) NOTUMALDH1A1KDM4EHSD17B10PPARG
SCHEMBL15093898 0.78 NOTUM (0.42) NOTUMALDH1A1KDM4EHSD17B10RXRA
SCHEMBL23519005 0.77 NOTUM (0.42) NOTUMALDH1A1
SCHEMBL30740989 0.76 SCN9A (0.38) ALDH1A1KDM4ERXRARXRBRXRG
SCHEMBL934639 0.76 SCN9A (0.38) ALDH1A1KDM4ERXRARXRBRXRG
SCHEMBL2562387 0.75 ALDH1A1 (0.48) NOTUMALDH1A1KDM4EHSD17B10CES1
SCHEMBL24361889 0.75 ALDH1A1 (0.66) FABP7FABP3FABP5ALDH1A1KDM4E

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-20210179554-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-06-17 — — 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-20210179554-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SLC6A5, LIFR, SLC6A9 NOTUM 576/4885FABP7 4593/4885FABP3 4759/4885

“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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