SCHEMBL22694186

SCHEMBL22694186

COc1cc(/C=C/C(=O)OC(CS(=O)(=O)O)(C(F)(F)F)C(F)(F)F)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.57
▸ MAOB P27338 3/20 0.56
▸ APP P05067 4/20 0.54
▸ CYP2D6 P10635 3/20 0.54
▸ CA12 O43570 3/20 0.54
▸ CA4 P22748 3/20 0.54
▸ CA6 P23280 3/20 0.54
▸ CA5A P35218 3/20 0.54
▸ CA7 P43166 3/20 0.54
▸ CA9 Q16790 3/20 0.54
▸ CA14 Q9ULX7 3/20 0.54
▸ CA5B Q9Y2D0 3/20 0.54
▸ BACE1 P56817 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ ALOX5 P09917 2/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ HSD11B1 P28845 2/20 0.54

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
SCHEMBL22694220 0.89 ALOX5 (0.52) CYP2D6CYP2C9CYP1A2ALOX5NFKB1
SCHEMBL22694185 0.85 SNCA (0.41) EPHX2MAOBAPPCYP2D6BACE1
SCHEMBL22694183 0.81 CA12 (0.47) MAOBCYP2D6CA12CA4CA6
SCHEMBL22694189 0.81 CYP3A4 (0.45) APPCYP2D6CYP2C9TSHRHSD17B10
SCHEMBL22694187 0.81 AKR1B10 (0.48) MAOBCA12CA4CA6CA5A
SCHEMBL22694182 0.79 CYP3A4 (0.47) CYP2D6CYP2C9CYP1A2ALOX5CYP3A4
SCHEMBL22694231 0.78 HSD17B2 (0.51) CYP2D6CYP1A2KDM4EMEN1POLB
SCHEMBL22694219 0.77 GABBR2 (0.48) MAOBCYP2C9CYP1A2ALOX5MAOA
SCHEMBL15663068 0.77 EPHX2 (0.74) EPHX2MAOBAPPCYP2D6CA12
SCHEMBL15663069 0.77 EPHX2 (0.74) EPHX2MAOBAPPCYP2D6CA12

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 EPHX2 4052/4885MAOB 3465/4885APP 4655/4885

“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.

Send feedback