SCHEMBL4655326

SCHEMBL4655326

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](C)[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.75
SLC6A2 P23975 1/20 0.75
AGTR1 P30556 1/20 0.75
VDR P11473 13/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ALDH1A1 P00352 2/20 0.70
CYP3A4 P08684 2/20 0.70
MAPT P10636 2/20 0.70
ALOX15 P16050 2/20 0.70
TDP1 Q9NUW8 1/20 0.70
CDC25A P30304 1/20 0.70
PGR P06401 1/20 0.70
HSPD1 P10809 1/20 0.70
HPGD P15428 1/20 0.70
TBXA2R P21731 1/20 0.70
PTGS1 P23219 1/20 0.70
GLRA1 P23415 1/20 0.70
DRD3 P35462 1/20 0.70
HSPE1 P61604 1/20 0.70

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
SCHEMBL4656328 1.00 ADORA3 (0.75) ADORA3SLC6A2AGTR1VDRMEN1
SCHEMBL8004306 1.00 ADORA3 (0.75) ADORA3SLC6A2AGTR1VDRMEN1
SCHEMBL8004302 1.00 ADORA3 (0.75) ADORA3SLC6A2AGTR1VDRMEN1
SCHEMBL10597997 0.92 ADORA3 (0.76) ADORA3SLC6A2AGTR1VDRMEN1
SCHEMBL11681017 0.92 ADORA3 (0.76) ADORA3SLC6A2AGTR1VDRMEN1
SCHEMBL27542722 0.92 ADORA3 (0.76) ADORA3SLC6A2AGTR1VDRMEN1
SCHEMBL11681021 0.92 ADORA3 (0.76) ADORA3SLC6A2AGTR1VDRMEN1
SCHEMBL3181793 0.91 VDR (0.76) ADORA3SLC6A2AGTR1VDRMAPT
SCHEMBL6401347 0.91 VDR (0.76) ADORA3SLC6A2AGTR1VDRMAPT
SCHEMBL6407006 0.91 VDR (0.76) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496914-B1 (20S)-1alpha-HYDROXY-2alpha-METHYL AND 2beta-METHYL-19-NOR-VITAMIN D3 AND THEIR USES WISCONSIN ALUMNI RES FOUND (US) 2008-11-26 EP disclosed
US-7205286-B2 (20S)-1α-hydroxy-2α-methyl and 2β-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-04-17 US disclosed
US-7094916-B2 (20S)-1α-hydroxy-2α-methyl and 2β-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-08-22 US disclosed
US-20060148769-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses DELUCA HECTOR F 2006-07-06 US disclosed
US-7064115-B2 (20S)-1α-hydroxy-2α-methyl and 2β-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-06-20 US disclosed
US-20050159397-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION 2005-07-21 US disclosed
US-6846811-B2 (20S) 1α-hydroxy-2α-methyl and 2β-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-01-25 US disclosed
EP-1496914-A1 (20S)-1a-HYDROXY-2a-METHYL AND 2&bgr;-METHYL-19-NOR-VITAM IN D sb 3 /sb AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-01-19 EP disclosed
US-6844330-B2 (20S)-1α-hydroxy-2α-methyl and 2β-methyl-19-NOR-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-01-18 US disclosed
US-6844457-B2 (20S)-1α-hydroxy-2α-methyl and 2β-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-01-18 US disclosed
US-6844331-B2 (20S)-1α-hydroxy-2α-methyl and 2β-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-01-18 US disclosed
US-6844332-B2 (20S)-1α-hydroxy-2α-methyl and 2β-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-01-18 US disclosed
US-20040152676-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-08-05 US disclosed
US-20040152678-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-08-05 US disclosed
US-20040152677-A1 (20S)-1alpha-hydroxy-2alpha-methl and 2beta-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-08-05 US disclosed
US-20040152675-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-08-05 US disclosed
US-20040152679-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-08-05 US disclosed
US-20040152680-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-08-05 US disclosed
US-20030203882-A1 (20S) 1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-10-30 US disclosed
WO-2003088977-A1 (20S)-1α-HYDROXY-2α-METHYL AND 2β-METHYL-19-NOR-VITAMIN D3 AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-10-30 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 (9 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-20040152679-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses CYP24A1, VDR, CYP27B1 ADORA3 2206/4885SLC6A2 3988/4885AGTR1 3711/4885
US-20050159397-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses VDR, CYP24A1, CYP27B1 ADORA3 2474/4885SLC6A2 3765/4885AGTR1 3261/4885
US-20030203882-A1 (20S) 1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses VDR, CYP24A1, CYP27B1 ADORA3 2185/4885SLC6A2 3977/4885AGTR1 3704/4885
US-20040152680-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses CYP24A1, VDR, CYP27B1 ADORA3 2206/4885SLC6A2 3988/4885AGTR1 3711/4885
US-20040152675-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses CYP24A1, VDR, CYP27B1 ADORA3 2206/4885SLC6A2 3988/4885AGTR1 3711/4885
US-20040152677-A1 (20S)-1alpha-hydroxy-2alpha-methl and 2beta-methyl-19-nor-vitamin D3 and their uses CYP24A1, VDR, CYP27B1 ADORA3 2047/4885SLC6A2 4132/4885AGTR1 3952/4885
US-20040152678-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses CYP24A1, VDR, CYP27B1 ADORA3 2206/4885SLC6A2 3988/4885AGTR1 3711/4885
US-20040152676-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses CYP24A1, VDR, CYP27B1 ADORA3 2206/4885SLC6A2 3988/4885AGTR1 3711/4885
US-20060148769-A1 (20S)-1alpha-hydroxy-2alpha-methyl and 2beta-methyl-19-nor-vitamin D3 and their uses VDR, CYP24A1, CYP27B1 ADORA3 2474/4885SLC6A2 3765/4885AGTR1 3261/4885

“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.