SCHEMBL6765500

SCHEMBL6765500

CCCCOc1ccc(C2CC(=O)CC(=O)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
LMNA P02545 2/20 0.51
RAB9A P51151 1/20 0.50
CRBN Q96SW2 1/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
ALDH1A1 P00352 1/20 0.47
KDM4A O75164 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
S1PR3 Q99500 1/20 0.44

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
SCHEMBL30368396 0.97 LMNA (0.56) NPC1LMNARAB9ACRBNMAPT
SCHEMBL30368405 0.95 LMNA (0.55) NPC1LMNARAB9ACRBNMAPT
SCHEMBL30368533 0.95 LMNA (0.55) NPC1LMNARAB9ACRBNMAPT
SCHEMBL30368319 0.94 MAPT (0.54) NPC1LMNARAB9ACRBNMAPT
SCHEMBL25377740 0.87 LMNA (0.47) NPC1LMNARAB9ACRBNMAOA
SCHEMBL30368557 0.87 MAPT (0.52) NPC1LMNAMAPTGAAMAOA
SCHEMBL25375685 0.86 LMNA (0.46) NPC1LMNARAB9AMAPTPKM
SCHEMBL25377108 0.86 LMNA (0.46) NPC1LMNARAB9ACRBNS1PR3
SCHEMBL25375125 0.86 LMNA (0.46) NPC1LMNARAB9AMAPTPKM
SCHEMBL25376967 0.85 S1PR3 (0.47) NPC1LMNARAB9AS1PR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800634-B2 ANTICANCER AGENTS ICONIX PHARMACEUTICALS INC. 2004-10-05 US disclosed
US-20030171390-A1 Modulators of Rho C activity ENTELOS HOLDING CORP. 2003-09-11 US disclosed
WO-2003043582-A2 MODULATORS OF RHO C ACTIVITY ICONIX PHARMACEUTICALS, INC. (US) 2003-05-30 WO 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-20030171390-A1 Modulators of Rho C activity RHOC, ARHGEF1, ROCK1 NPC1 2115/4885LMNA 1790/4885RAB9A 58/4885

“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.