SCHEMBL23518973

SCHEMBL23518973

CC1(OC(=O)c2cc(I)ccc2OC(F)(F)C(=O)O)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.38
▸ SCN1A P35498 2/20 0.33
▸ SCN2A Q99250 2/20 0.33
▸ SCN3A Q9NY46 2/20 0.33
▸ CYP19A1 P11511 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL23519039 0.81 NOTUM (0.45) NOTUMCYP19A1
SCHEMBL23518975 0.81 SCN1A (0.31) NOTUMSCN1ASCN2ASCN3A
SCHEMBL23518947 0.80 NOTUM (0.53) NOTUM
SCHEMBL23518950 0.77 NOTUM (0.41) NOTUM
SCHEMBL24361197 0.75 SCN8A (0.38) NOTUM
SCHEMBL23518968 0.74 GABRA1 (0.42) NOTUM
SCHEMBL23518972 0.73 ADORA3 (0.40) NOTUMCYP19A1
SCHEMBL23519131 0.66 SLC6A4 (0.42) NOTUMFFAR4
SCHEMBL23383176 0.66 SCN1A (0.43) SCN1ASCN2ASCN3ACYP19A1FFAR4
SCHEMBL3411398 0.66 SCN1A (0.54) SCN1ASCN2ASCN3ACYP19A1

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 576/4885SCN1A 774/4885SCN2A 984/4885

“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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