SCHEMBL24361891

SCHEMBL24361891

O=C(OCC(F)(F)F)c1ccccc1OC(F)(F)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ F2 P00734 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ FABP7 O15540 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36

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
SCHEMBL27994489 0.81 KDM4E (0.46) NPSR1TSHRTDP1KDM4EL3MBTL1
SCHEMBL23518968 0.81 GABRA1 (0.42) NPSR1TSHRTDP1KDM4EL3MBTL1
SCHEMBL2003037 0.81 TSHR (0.55) NPSR1TSHRTDP1KDM4EL3MBTL1
SCHEMBL24361101 0.79 KDM4E (0.41) NPSR1TSHRTDP1KDM4EL3MBTL1
SCHEMBL9247458 0.78 ADRB2 (0.50) NPSR1TSHRTDP1KDM4EL3MBTL1
SCHEMBL8567872 0.78 ALDH1A1 (0.59) NPSR1TSHRTDP1KDM4EL3MBTL1
SCHEMBL24360869 0.77 KDM4E (0.40) NPSR1TSHRTDP1KDM4EL3MBTL1
SCHEMBL2562387 0.76 ALDH1A1 (0.48) TSHRTDP1KDM4EELANEHTT
SCHEMBL3342492 0.74 TDP1 (0.61) TSHRTDP1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL9456447 0.73 TDP1 (0.38) NPSR1TSHRTDP1KDM4EL3MBTL1

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-20220127225-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-04-28 — — 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-20220127225-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS CACNA1F, SLC6A5, IDUA NPSR1 4281/4885TSHR 4292/4885TDP1 3589/4885

“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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