SCHEMBL25968276

SCHEMBL25968276

CCC(CC)c1cc(-c2ccccc2C)[n+](C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GALR3 O60755 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
NPY1R P25929 1/20 0.31
HTT P42858 1/20 0.31
RAD52 P43351 1/20 0.31
NPY2R P49146 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HEXA P06865 1/20 0.31
HEXB P07686 1/20 0.31

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
SCHEMBL25497596 0.88 MEN1 (0.31) MEN1NPC1GALR3ALDH1A1POLB
SCHEMBL26013138 0.85 NPC1 (0.31) NPC1RAB9ASMN1; SMN2HEXAHEXB
SCHEMBL25517571 0.83 LMNA (0.32) MEN1NPC1ALDH1A1MAPTHTT
SCHEMBL26014288 0.82 NPC1 (0.31) NPC1RAB9ASMN1; SMN2HEXAHEXB
SCHEMBL25968253 0.77 HDAC8 (0.32) MEN1NPC1GALR3ALDH1A1POLB
SCHEMBL25445552 0.77 RAB9A (0.35) MEN1NPC1GALR3ALDH1A1POLB
SCHEMBL25967922 0.77 CNR2 (0.33) MEN1NPC1GALR3ALDH1A1POLB
SCHEMBL25638907 0.76 CA12 (0.33) MEN1NPC1GALR3ALDH1A1POLB
SCHEMBL25445897 0.76 ALDH1A1 (0.32) MEN1NPC1ALDH1A1MAPTHTT
SCHEMBL25968275 0.76 HEXA (0.31) HEXAHEXB

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-20230209990-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-29 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-20230209990-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L3MBTL3, AGO2, ELAVL3 MEN1 766/4885NPC1 1321/4885GALR3 153/4885

“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.