SCHEMBL3727604

SCHEMBL3727604

C=C1/C(=C\C=C2CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)[C@H](F)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.73
SLC6A2 P23975 2/20 0.73
AGTR1 P30556 2/20 0.73
VDR P11473 8/20 0.69
MAPT P10636 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
ALDH1A1 P00352 2/20 0.69
CYP3A4 P08684 2/20 0.69
ALOX15 P16050 2/20 0.69
PGR P06401 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
CDC25A P30304 1/20 0.69
HSPD1 P10809 1/20 0.69
HPGD P15428 1/20 0.69
TBXA2R P21731 1/20 0.69
PTGS1 P23219 1/20 0.69
GLRA1 P23415 1/20 0.69
DRD3 P35462 1/20 0.69

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
SCHEMBL10888072 1.00 ADORA3 (0.73) ADORA3SLC6A2AGTR1VDRMAPT
SCHEMBL27542722 0.91 ADORA3 (0.76) ADORA3SLC6A2AGTR1VDRMAPT
SCHEMBL10597997 0.91 ADORA3 (0.76) ADORA3SLC6A2AGTR1VDRMAPT
SCHEMBL11681017 0.91 ADORA3 (0.76) ADORA3SLC6A2AGTR1VDRMAPT
SCHEMBL11681021 0.91 ADORA3 (0.76) ADORA3SLC6A2AGTR1VDRMAPT
SCHEMBL5305802 0.91 VDR (0.75) ADORA3SLC6A2AGTR1VDRMAPT
SCHEMBL3728240 0.91 VDR (0.75) ADORA3SLC6A2AGTR1VDRMAPT
SCHEMBL11226670 0.91 VDR (0.75) ADORA3SLC6A2AGTR1VDRMAPT
SCHEMBL11317373 0.91 VDR (0.75) ADORA3SLC6A2AGTR1VDRMAPT
SCHEMBL4655326 0.90 ADORA3 (0.75) ADORA3SLC6A2AGTR1VDRMAPT

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
EP-2190422-A1 A METHOD OF EXTENDING THE DOSE RANGE OF VITAMIN D COMPOUNDS Wisconsin Alumni Research Foundation (US) 2010-06-02 EP disclosed
WO-2009026265-A1 A METHOD OF EXTENDING THE DOSE RANGE OF VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-02-26 WO disclosed
US-20080249068-A1 Method of Extending the Dose Range of Vitamin D Compounds WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-10-09 US disclosed
US-7259143-B2 Method of extending the dose range of vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-21 US disclosed
EP-1545549-A1 A METHOD OF EXTENDING THE DOSE RANGE OF VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-06-29 EP disclosed
US-20040053813-A1 Method of extending the dose range of vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-03-18 US disclosed
WO-2004022068-A1 A METHOD OF EXTENDING THE DOSE RANGE OF VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-18 WO disclosed
US-6291444-B1 Treatment of t-cell immunodeficiencies with vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION 2001-09-18 US disclosed
EP-0401357-B1 IMPROVING REPRODUCTIVE FUNCTIONS IN MAMMALS WISCONSIN ALUMNI RES FOUND (US) 1996-03-20 EP disclosed
EP-0549367-A1 Method of treating milk fever disease in dairy cattle WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1993-06-30 EP disclosed
US-4594192-A 2α-fluorovitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1986-06-10 US disclosed
WO-1982002893-A1 1 ALPHA,25-DIHYDROXY-2 BETA-FLUOROVITAMIN D3 WISCONSIN ALUMNI RES FOUND (US) 1982-09-02 WO disclosed
WO-1981003023-A1 1 ALPHA-HYDROXY-2 BETA-FLUOROCHOLECALCIFEROL WISCONSIN ALUMNI RES FOUND (US) 1981-10-29 WO disclosed
US-4254045-A DERIVATIVES OF VITAMIN D3; FOR TREATMENT OF METABOLIC BONE DISEASES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1981-03-03 US disclosed
US-4254045-A DERIVATIVES OF VITAMIN D3; FOR TREATMENT OF METABOLIC BONE DISEASES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1981-03-03 US disclosed
US-4254045-A DERIVATIVES OF VITAMIN D3; FOR TREATMENT OF METABOLIC BONE DISEASES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1981-03-03 US 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-20080249068-A1 Method of Extending the Dose Range of Vitamin D Compounds VDR, CASK, CYP24A1 ADORA3 841/4885SLC6A2 4222/4885AGTR1 232/4885
US-20040053813-A1 Method of extending the dose range of vitamin D compounds VDR, SOST, CASK ADORA3 261/4885SLC6A2 3702/4885AGTR1 296/4885

“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.