SCHEMBL23519087

SCHEMBL23519087

COc1cc(F)ccc1OC(F)(F)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42

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
SCHEMBL17186832 0.86 EPHX2 (0.46) NOTUMHTTLMNAMAPK1RAB9A
SCHEMBL29795192 0.86 EPHX2 (0.46) NOTUMHTTLMNAMAPK1RAB9A
SCHEMBL1333446 0.84 HSD11B1 (0.49) HTTLMNAMAPK1RAB9ACYP1A2
SCHEMBL23519091 0.83 NOTUM (0.47) NOTUMHTTLMNAMAPK1RAB9A
Bicarbonate SCHEMBL5984739 0.81 HSD11B1 (0.47) HTTLMNAMAPK1RAB9ACYP1A2
SCHEMBL2560630 0.81 NOTUM (0.56) NOTUMHTTLMNAMAPK1RAB9A
SCHEMBL23519099 0.79 NOTUM (0.43) NOTUMHTTKMT2ASCN8ASCN10A
Bicarbonate SCHEMBL5984748 0.79 HSD11B1 (0.46) HTTLMNAMAPK1RAB9ACYP1A2
Bicarbonate SCHEMBL5984744 0.79 HSD11B1 (0.46) HTTLMNAMAPK1RAB9ACYP1A2
SCHEMBL23519089 0.75 CXCL8 (0.46) NOTUMLMNAKMT2A

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-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 (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-20210179554-A1 ONIUM SALT COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SLC6A5, LIFR, SLC6A9 NOTUM 576/4885HTT 3620/4885LMNA 1042/4885

“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.