SCHEMBL22694219

SCHEMBL22694219

CC(C)(C)c1cc(/C=C/C(=O)OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 2/20 0.48
▸ GABBR1 Q9UBS5 2/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.41
▸ PTGS1 P23219 3/20 0.40
▸ PTGS2 P35354 3/20 0.40
▸ TNFRSF1A P19438 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAOA P21397 5/20 0.37
▸ MAOB P27338 5/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ACHE P22303 3/20 0.36
▸ HMGCR P04035 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ ALOX5 P09917 1/20 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
SCHEMBL22694182 0.85 CYP3A4 (0.47) PTGS1PTGS2CYP1A2CYP2C9ALOX5
SCHEMBL22694189 0.85 CYP3A4 (0.45) PTGS1PTGS2CYP1A2CYP2C9ALOX5
SCHEMBL22694220 0.83 ALOX5 (0.52) PTGS1PTGS2CYP1A2CYP2C9ALOX5
SCHEMBL22694228 0.80 LMNA (0.40) GABBR2GABBR1GPR55PTGS1PTGS2
SCHEMBL22694183 0.80 CA12 (0.47) PTGS2MAOBCYP2C9
SCHEMBL22694187 0.80 AKR1B10 (0.48) MAOAMAOB
SCHEMBL22694185 0.78 SNCA (0.41) PTGS1PTGS2MAOBCYP1A2CYP2C9
SCHEMBL22694184 0.78 AKR1B10 (0.30) —
SCHEMBL22694186 0.77 EPHX2 (0.57) PTGS1PTGS2NPSR1MAOAMAOB
SCHEMBL19961454 0.73 — —

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 GABBR2 1211/4885GABBR1 1218/4885GPR55 2687/4885

“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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