SCHEMBL23518980

SCHEMBL23518980

O=C(OCC(F)(F)F)c1cc(I)cc(I)c1OC(F)(F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.32
▸ NOTUM Q6P988 1/20 0.31
▸ F2 P00734 1/20 0.30
▸ PLAU P00749 1/20 0.30
▸ ELANE P08246 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
SCHEMBL24360978 0.84 TSHR (0.41) NOTUM
SCHEMBL23518953 0.82 NOTUM (0.44) NOTUM
SCHEMBL23518943 0.82 MAOB (0.39) NOTUM
SCHEMBL24361105 0.81 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23518944 0.80 NOTUM (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23519003 0.80 NOTUM (0.36) NOTUM
SCHEMBL24360870 0.79 VCAM1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23518968 0.79 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL25475637 0.77 TTR (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23559269 0.76 TPMT (0.35) SLC6A3

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 GABRA1 2105/4885GABRG2 2350/4885GABRB3 2770/4885

“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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