SCHEMBL23518944

SCHEMBL23518944

CC(C)(C)OC(=O)c1cc(I)cc(I)c1OC(F)(F)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.34
▸ RXRA P19793 4/20 0.31
▸ NR1H2 P55055 4/20 0.31
▸ POLB P06746 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ NR1H3 Q13133 2/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ CFTR P13569 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
SCHEMBL23518953 0.86 NOTUM (0.44) NOTUMPOLBNLRP3CFTR
SCHEMBL12903048 0.86 POLB (0.35) POLBNLRP3GABRA1GABRG2GABRB3
SCHEMBL23518943 0.83 MAOB (0.39) NOTUMPOLBNLRP3
SCHEMBL23519003 0.81 NOTUM (0.36) NOTUMPOLBNLRP3
SCHEMBL24360787 0.81 VCAM1 (0.35) POLBNLRP3
SCHEMBL23518980 0.80 GABRA1 (0.35) NOTUMGABRA1GABRG2GABRB3GABRA5
SCHEMBL24360978 0.80 TSHR (0.41) NOTUMPOLBNLRP3CFTR
SCHEMBL24361018 0.79 VCAM1 (0.43) POLBNLRP3
SCHEMBL23518975 0.78 SCN1A (0.31) NOTUM
SCHEMBL23559253 0.75 TPMT (0.35) POLBNLRP3CFTR

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 2 patents. 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
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 (2 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 576/4885RXRA 3630/4885NR1H2 2493/4885
US-20220127225-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS CACNA1F, SLC6A5, IDUA NOTUM 399/4885RXRA 3643/4885NR1H2 3378/4885

“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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