SCHEMBL6032348

SCHEMBL6032348

CC(=O)C1(c2ccccc2)CCN(C(=O)CCCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 1/20 0.50
TACR1 P25103 1/20 0.50
KCNA3 P22001 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FKBP1A P62942 1/20 0.47
POLB P06746 2/20 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
SCHEMBL6032506 0.84 CA12 (0.55) RAB9ATACR1SIGMAR1CA12CA1
SCHEMBL2700497 0.81 NPC1 (0.63) NPC1TDP1ALDH1A1MAPTFKBP1A
SCHEMBL18068774 0.81 OPRM1 (0.62) RAB9ATACR1CA12CA1CA2
SCHEMBL13593925 0.79 NPC1 (0.60) NPC1TDP1ALDH1A1MAPTFKBP1A
SCHEMBL4818498 0.79 AR (0.55) ARNPC1RAB9ATDP1SIGMAR1
SCHEMBL4818508 0.79 AR (0.55) ARNPC1RAB9ATDP1SIGMAR1
SCHEMBL2473435 0.78 CHRM5 (0.53) KCNA3SIGMAR1ALDH1A1HTTL3MBTL1
SCHEMBL6032504 0.77 CA12 (0.54) RAB9ATACR1CA12CA1CA2
SCHEMBL8599293 0.77 NPC1 (0.81) ARNPC1RAB9ATDP1SIGMAR1
SCHEMBL13774957 0.77 CA12 (0.59) RAB9ACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058351-A1 Novel ligands that modulate LXR-type receptors and cosmetic/pharmaceutical applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-03-16 US claimed
EP-1599447-A1 LIGANDS THAT MODULATE LXR-TYPE RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-11-30 EP claimed
WO-2004076418-A1 LIGANDS THAT MODULATE LXR-TYPE RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-09-10 WO claimed
US-20060058351-A1 Novel ligands that modulate LXR-type receptors and cosmetic/pharmaceutical applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-03-16 US disclosed
EP-1599447-A1 LIGANDS THAT MODULATE LXR-TYPE RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-11-30 EP disclosed
WO-2004076418-A1 LIGANDS THAT MODULATE LXR-TYPE RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-09-10 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-20060058351-A1 Novel ligands that modulate LXR-type receptors and cosmetic/pharmaceutical applications thereof NR1H2, NR1H3, RXRG AR 266/4885NPC1 116/4885RAB9A 2558/4885

“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.