SCHEMBL21940055

SCHEMBL21940055

CCOC(=O)c1ccc(C(C)C)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 8/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
POLB P06746 2/20 0.48
TLR2 O60603 1/20 0.48
NSD2 O96028 1/20 0.48
PKM P14618 1/20 0.48
MPI P34949 1/20 0.48
GRK6 P43250 1/20 0.48
RECQL P46063 1/20 0.48
TLR1 Q15399 1/20 0.48
TLR6 Q9Y2C9 1/20 0.48
MAOB P27338 1/20 0.48
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL25062393 0.90 HDAC4 (0.54) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL21940624 0.86 HDAC4 (0.54) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL449698 0.85 HDAC4 (0.73) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL8631493 0.84 HDAC4 (0.59) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL1827714 0.83 HDAC4 (0.51) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL20029969 0.83 L3MBTL1 (0.41) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL13079492 0.83 HDAC4 (0.54) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL29617026 0.81 HDAC4 (0.64) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL28668738 0.81 HDAC4 (0.59) HDAC4HDAC6L3MBTL1NPC1RAB9A
SCHEMBL28656003 0.81 HDAC4 (0.59) HDAC4HDAC6L3MBTL1NPC1RAB9A

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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 HDAC4 798/4885HDAC6 1286/4885L3MBTL1 2981/4885

“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.