SCHEMBL26242889

SCHEMBL26242889

C=Cc1ccc(COc2c(F)c(F)c([B-](c3c(F)c(F)c(COc4ccc(C=C)cc4)c(F)c3F)(c3c(F)c(F)c(OCc4ccc(C=C)cc4)c(F)c3F)c3c(F)c(F)c(OCc4ccc(C=C)cc4)c(F)c3F)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ MAOB P27338 6/20 0.35
▸ APP P05067 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33

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
SCHEMBL21141921 0.89 ALDH1A1 (0.34) NPC1RAB9ACASP3SMN1; SMN2SENP8
Lithium Ion SCHEMBL30085325 0.88 POLB (0.33) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL14867055 0.79 MAPT (0.41) MAOBAPPTSHRPTPN1GSK3B
SCHEMBL13242652 0.76 APP (0.54) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL6388039 0.76 APP (0.54) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL13048615 0.74 ALDH1A1 (0.35) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL23969913 0.73 ALDH1A1 (0.34) MAOBTSHRMAPT
SCHEMBL21141917 0.72 ALDH1A1 (0.46) NPC1RAB9AMAOBTSHRMAPT
SCHEMBL10226406 0.72 RXRA (0.54) NPC1RAB9ACASP3SMN1; SMN2SENP8
SCHEMBL8745237 0.72 HPGD (0.54) NPC1RAB9ACASP3SMN1; SMN2SENP8

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-11765921-B2 Ionic compound, and coating composition and organic light-emitting device comprising same LG CHEM, LTD. 2023-09-19 — — 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-11765921-B2 Ionic compound, and coating composition and organic light-emitting device comprising same OR10J3, ORC3, CD59 NPC1 1768/4885RAB9A 1338/4885CASP3 1305/4885

“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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