SCHEMBL23519005

SCHEMBL23519005

O=C(O)C(F)(F)Oc1cc(O)ccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.42
▸ CAMK2A Q9UQM7 3/20 0.36
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ MAOB P27338 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ TPX2 Q9ULW0 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
SCHEMBL23519062 0.77 NOTUM (0.42) NOTUMALDH1A1
SCHEMBL23518950 0.69 NOTUM (0.41) NOTUMALDH1A1EPHX2
SCHEMBL23519003 0.68 NOTUM (0.36) NOTUMMAOB
SCHEMBL24361903 0.68 NOTUM (0.43) NOTUMESR1ESR2CA12CA1
SCHEMBL17186832 0.67 EPHX2 (0.46) NOTUMTSHRSCN10AEPHX2
SCHEMBL29795192 0.67 EPHX2 (0.46) NOTUMTSHRSCN10AEPHX2
SCHEMBL24361271 0.67 MEN1 (0.52) ESR1ESR2AURKATPX2EPHX2
SCHEMBL1918749 0.66 MAOB (0.61) ESR1ESR2MAOBALOX5PTGS2
SCHEMBL23519000 0.66 TRPV1 (0.49) NOTUMCA1CA2CA9ALDH1A1
SCHEMBL23519089 0.66 CXCL8 (0.46) NOTUMALDH1A1EPHX2

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 576/4885CAMK2A 809/4885ESR1 2832/4885

“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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