SCHEMBL1059040

SCHEMBL1059040

CCC(CC)(c1ccc(O)cc1)c1ccc(CCC(O)C(C)(C)C)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.54
ESR2 Q92731 3/20 0.54
VDR P11473 12/20 0.49
HDAC3 O15379 3/20 0.48
HDAC6 Q9UBN7 2/20 0.48
AR P10275 5/20 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
SCHEMBL5153604 0.93 VDR (0.55) ESR1ESR2VDRHDAC3HDAC6
SCHEMBL1525718 0.89 ESR1 (0.59) ESR1ESR2VDRHDAC3HDAC6
SCHEMBL5156575 0.86 VDR (0.49) ESR1ESR2VDRHDAC3HDAC6
SCHEMBL1056430 0.86 HDAC6 (0.48) VDRHDAC3HDAC6AR
SCHEMBL5155936 0.85 VDR (0.54) VDRHDAC3HDAC6AR
SCHEMBL5156434 0.85 VDR (0.48) ESR1ESR2VDRHDAC3HDAC6
SCHEMBL5156192 0.83 HDAC6 (0.56) VDRHDAC3HDAC6AR
SCHEMBL5154028 0.83 VDR (0.46) ESR1ESR2VDRHDAC3HDAC6
SCHEMBL3066239 0.82 HDAC6 (0.50) VDRHDAC3HDAC6AR
SCHEMBL13203908 0.82 HDAC6 (0.50) VDRHDAC3HDAC6AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863298-B2 Bridged ring structures as pharmaceutical agents EXELIXIS, INC. (US) 2011-01-04 US disclosed
EP-1675812-B1 BRIDGED RING STRUCTURES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2010-01-20 EP disclosed
US-20070225377-A1 Bridged Ring Structures as Pharmaceutical Agents X-CEPTOR THERAPEUTICS, INC. (US) 2007-09-27 US disclosed
EP-1675812-A2 BRIDGED RING STRUCTURES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-07-05 EP disclosed
WO-2005037755-A2 BRIDGED RING STRUCTURES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-28 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-20070225377-A1 Bridged Ring Structures as Pharmaceutical Agents VDR, CYP24A1, CYP2R1 ESR1 265/4885ESR2 199/4885VDR 1/4885

“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.