SCHEMBL23559459

SCHEMBL23559459

O=C(OC1CCCCC1)c1cc(I)cc(I)c1OCC(F)(F)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTR3A P46098 4/20 0.32
▸ STS P08842 4/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PTPRF P10586 1/20 0.32
▸ PTPN2 P17706 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ ATF1 P18846 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MMP9 P14780 2/20 0.30
▸ MMP12 P39900 2/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ THRA P10827 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
SCHEMBL23559364 0.71 POLB (0.32) —
SCHEMBL23559360 0.70 TSHR (0.34) KMT2AHTT
SCHEMBL23559269 0.70 TPMT (0.35) KMT2ASLC6A3
SCHEMBL9485184 0.69 MMP9 (0.42) NPC1RAB9AMEN1KMT2ASTS
SCHEMBL24361197 0.69 SCN8A (0.38) NPC1RAB9AMEN1KMT2ASTS
SCHEMBL23519122 0.68 SERPINE1 (0.35) HTR3APTPRFPTPN2PTPN1
SCHEMBL23519136 0.68 SERPINE1 (0.40) PTPRFPTPN2PTPN1
SCHEMBL828645 0.67 NPC1 (0.54) NPC1RAB9AMEN1KMT2ASTS
SCHEMBL23059983 0.67 HDAC3 (0.34) —
SCHEMBL25788315 0.66 MAOB (0.34) MAPT

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 NPC1 2400/4885RAB9A 1449/4885MEN1 3280/4885

“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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