SCHEMBL23559469

SCHEMBL23559469

CC(C)(OC(=O)c1ccc(I)cc1C(F)(F)F)C(F)(F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.36
▸ CFTR P13569 2/20 0.35
▸ NOTUM Q6P988 1/20 0.31
▸ AR P10275 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ASPH Q12797 1/20 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
▸ LDHA P00338 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
SCHEMBL23559561 0.86 GABRG2 (0.32) CFTRGABRA1GABRG2GABRB3GABRA5
SCHEMBL23559472 0.84 MAP2K1 (0.36) ALDH1A1HPGDCYP2C19
SCHEMBL23559319 0.82 CA12 (0.36) ARKDM4EUSP2ALDH1A1HPGD
SCHEMBL23559314 0.82 PTPN1 (0.34) CES2ARGABRA1GABRG2GABRB3
SCHEMBL23559471 0.82 NOTUM (0.35) NOTUMGABRA1GABRG2GABRB3GABRA5
SCHEMBL2427821 0.78 CFTR (0.55) CES2CFTRNOTUMKDM4EALDH1A1
SCHEMBL23559559 0.77 TPMT (0.41) NOTUMALDH1A1CYP2C19HSD17B10
SCHEMBL695647 0.76 CES2 (0.48) CES2CFTRNOTUMKDM4EUSP2
SCHEMBL23559564 0.75 SOS1 (0.33) CFTR
SCHEMBL23559563 0.75 TP53BP1 (0.39) ALDH1A1CYP2C19HSD17B10

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-20210188770-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-06-24 — — 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-20210188770-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SLC6A5, LIFR, SLC6A9 CES2 3260/4885CFTR 2281/4885NOTUM 576/4885

“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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