SCHEMBL25968253

SCHEMBL25968253

CCC(CC)c1ccc(-c2ccccc2C)[n+](C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GALR3 O60755 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
NPY2R P49146 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
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
SCHEMBL25445829 0.82 LMNA (0.40) MEN1NPC1ALDH1A1MAPTHTT
SCHEMBL25450544 0.78 LMNA (0.38)
SCHEMBL25968275 0.77 HEXA (0.31) HEXAHEXB
SCHEMBL25968276 0.77 MEN1 (0.31) MEN1NPC1GALR3ALDH1A1POLB
SCHEMBL25497596 0.77 MEN1 (0.31) MEN1NPC1GALR3ALDH1A1POLB
SCHEMBL25450410 0.76 CRHR1 (0.33) HDAC8HDAC6
SCHEMBL25446012 0.76 TP53 (0.39) MEN1NPC1GALR3ALDH1A1POLB
SCHEMBL25447965 0.75 ALDH1A1 (0.32) MEN1NPC1GALR3ALDH1A1POLB
SCHEMBL25445521 0.74 NPC1 (0.35) MEN1NPC1GALR3ALDH1A1POLB
SCHEMBL25452114 0.74 LMNA (0.40) HDAC6MEN1ALDH1A1MAPTHTT

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 HDAC8 3763/4885HDAC6 2473/4885MEN1 766/4885

“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.