SCHEMBL22694182

SCHEMBL22694182

Cc1cc(/C=C/C(=O)OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F)cc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2B6 P20813 1/20 0.47
▸ PTGS1 P23219 3/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ ALOX5 P09917 2/20 0.35

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
SCHEMBL22694189 0.87 CYP3A4 (0.45) CYP3A4CYP1A2CYP2D6CYP2C9PTGS1
SCHEMBL22694219 0.85 GABBR2 (0.48) CYP1A2CYP2C9PTGS1PTGS2ALOX5
SCHEMBL22694220 0.85 ALOX5 (0.52) CYP3A4CYP1A2CYP2D6CYP2C9CYP2B6
SCHEMBL22694183 0.82 CA12 (0.47) CYP2D6CYP2C9PTGS2
SCHEMBL22694187 0.81 AKR1B10 (0.48) —
SCHEMBL22694185 0.80 SNCA (0.41) CYP3A4CYP1A2CYP2D6CYP2C9PTGS1
SCHEMBL22694184 0.80 AKR1B10 (0.30) —
SCHEMBL22694186 0.79 EPHX2 (0.57) CYP3A4CYP1A2CYP2D6CYP2C9CYP2B6
SCHEMBL19961454 0.75 — —
SCHEMBL22694188 0.75 NFKB1 (0.44) ALOX5

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-20200369605-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-11-26 — — 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-20200369605-A1 ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS PAG1, SLC6A5, LBR CYP3A4 4767/4885CYP1A2 4576/4885CYP2D6 3894/4885

“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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