SCHEMBL1779167

SCHEMBL1779167

COC(=O)c1ccc2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 2/20 0.59
MAOB P27338 2/20 0.57
MRGPRX4 Q96LA9 3/20 0.57
NR4A1 P22736 1/20 0.56
NR4A2 P43354 1/20 0.56
NR4A3 Q92570 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 2/20 0.55
P2RY14 Q15391 1/20 0.54
PARP10 Q53GL7 1/20 0.54
LNPEP Q9UIQ6 2/20 0.54

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
SCHEMBL1777985 0.97 ALOX5 (0.60) ALOX5LMNAHPGDMAPTNPC1
SCHEMBL28152490 0.93 ALOX5 (0.67) ALOX5LMNAHPGDMAPTNPC1
SCHEMBL9574659 0.91 MRGPRX4 (0.64) LMNAMAPTNPC1MAOBMRGPRX4
SCHEMBL10615958 0.90 NPC1 (0.58) MAPTNPC1MRGPRX4NR4A1NR4A2
SCHEMBL9268448 0.89 NPC1 (0.71) ALOX5LMNAHPGDMAPTNPC1
SCHEMBL31556116 0.87 MAOB (0.58) ALOX5LMNAMAPTNPC1MAOB
SCHEMBL3235219 0.87 ALOX5 (0.61) ALOX5LMNAHPGDMAPTNPC1
SCHEMBL978502 0.86 RAB9A (0.71) LMNAHPGDMAPTNPC1MAOB
SCHEMBL7939669 0.85 LMNA (0.53) LMNAHPGDMAPTNPC1MAOB
SCHEMBL976424 0.85 MAOB (0.73) LMNAHPGDMAOBMRGPRX4NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 US disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
EP-1836151-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2009-04-01 EP disclosed
EP-1836151-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2007-09-26 EP disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 US disclosed
EP-1680397-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2006-07-19 EP disclosed
WO-2006069153-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-06-29 WO disclosed
WO-2005040102-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-06 WO disclosed
US-5061399-A FERROELECTRICITY THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-10-29 US disclosed
EP-0302875-B1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1991-02-27 EP 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 (2 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-20090234001-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 ALOX5 329/4885LMNA 1596/4885HPGD 459/4885
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 ALOX5 1400/4885LMNA 2939/4885HPGD 3560/4885

“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.