SCHEMBL1058566

SCHEMBL1058566

CCC(O)(CC)CCc1ccc(C(CC)(CC)c2ccc(OC[C@@H](O)CO)c(C)c2)cc1C

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 17/20 0.73
AR P10275 6/20 0.65

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
SCHEMBL5157117 1.00 VDR (0.73) VDRAR
SCHEMBL5153777 0.91 VDR (0.78) VDRAR
SCHEMBL1052998 0.91 VDR (0.78) VDRAR
SCHEMBL5155973 0.90 VDR (0.73) VDRAR
SCHEMBL5153525 0.88 VDR (0.64) VDRAR
SCHEMBL5153504 0.88 VDR (0.64) VDRAR
SCHEMBL5156926 0.86 HDAC6 (0.57) VDRAR
SCHEMBL5159067 0.86 HDAC6 (0.57) VDRAR
SCHEMBL5156913 0.86 HDAC6 (0.57) VDRAR
SCHEMBL5157185 0.84 VDR (0.53) VDRAR

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4782688-B2 2011-09-28 JP claimed
US-7863298-B2 Bridged ring structures as pharmaceutical agents EXELIXIS, INC. (US) 2011-01-04 US claimed
EP-1675812-B1 BRIDGED RING STRUCTURES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2010-01-20 EP claimed
US-20070225377-A1 Bridged Ring Structures as Pharmaceutical Agents X-CEPTOR THERAPEUTICS, INC. (US) 2007-09-27 US claimed
EP-1740522-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D SB 3 /SB RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-01-10 EP claimed
EP-1675812-A2 BRIDGED RING STRUCTURES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-07-05 EP claimed
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) 2006-02-02 US claimed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO claimed
WO-2005037755-A2 BRIDGED RING STRUCTURES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-28 WO claimed
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-20090163453-A1 Prevention and Treatment of Gastrointestinal and Bladder Disorders Associated with Chemotherapy or Radiation Therapy Using Active Vitamin D Compounds NOVACEA INC. (US) 2009-06-25 US disclosed
US-20090069276-A1 Treatment, prevention and amelioration of pulmonary disorders associated with chemotherapy or radiotherapy with active vitamin D compounds or mimics thereof NOVACEA, INC. (US) 2009-03-12 US disclosed
EP-1928471-A2 PREVENTION AND TREATMENT OF GASTROINTESTINAL AND BLADDER DISORDERS ASSOCIATED WITH CHEMOTHERAPY OR RADIATION THERAPY USING ACTIVE VITAMIN D COMPOUNDS Novacea, Inc. (US) 2008-06-11 EP disclosed
US-20060172014-A1 Treatment of lung cancer with active vitamin D compounds in combination with other treatments NOVACEA, INC. 2006-08-03 US disclosed
WO-2006074226-A2 PREVENTION OF THROMBOTIC DISORDERS WITH ACTIVE VITAMIN D COMPOUNDS OR MIMICS THEREOF NOVACEA, INC. (US) 2006-07-13 WO disclosed
EP-1675812-A2 BRIDGED RING STRUCTURES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-07-05 EP disclosed
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists CHUGAI SEIYAKU KABUSHIKA KAISHA (JP) 2006-02-02 US disclosed
WO-2005087700-A2 BISPHENYL COMPOUNDS USEFUL AS VITAMIN D3 RECEPTOR AGONISTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-09-22 WO 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 (5 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 VDR 1/4885AR 248/4885
US-20060172014-A1 Treatment of lung cancer with active vitamin D compounds in combination with other treatments VDR, CYP24A1, CYP27B1 VDR 1/4885AR 2768/4885
US-20090163453-A1 Prevention and Treatment of Gastrointestinal and Bladder Disorders Associated with Chemotherapy or Radiation Therapy Using Active Vitamin D Compounds VDR, CYP24A1, CYP27B1 VDR 1/4885AR 2440/4885
US-20060025474-A1 Bisphenyl compounds useful as vitamin D3 receptor agonists VDR, CYP2R1, CYP24A1 VDR 1/4885AR 275/4885
US-20090069276-A1 Treatment, prevention and amelioration of pulmonary disorders associated with chemotherapy or radiotherapy with active vitamin D compounds or mimics thereof VDR, CYP24A1, CYP27B1 VDR 1/4885AR 1089/4885

“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.