SCHEMBL3220709

SCHEMBL3220709

C=C1CC[C@@](O)(C2CC2)C/C1=C/C=C1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)CCCC(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.70
VDR P11473 4/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ADORA3 P0DMS8 3/20 0.70
CDC25A P30304 3/20 0.70
ALDH1A1 P00352 2/20 0.70
CYP3A4 P08684 2/20 0.70
ALOX15 P16050 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
PGR P06401 2/20 0.70
TDP1 Q9NUW8 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
HSD17B10 Q99714 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
SCHEMBL232217 0.90 MAPT (0.74) MAPTVDRMEN1KMT2AADORA3
SCHEMBL4960177 0.90 MAPT (0.74) MAPTVDRMEN1KMT2AADORA3
SCHEMBL8003899 0.90 MAPT (0.74) MAPTVDRMEN1KMT2AADORA3
SCHEMBL10034122 0.90 MAPT (0.74) MAPTVDRMEN1KMT2AADORA3
SCHEMBL9330205 0.88 MAPT (0.71) MAPTVDRMEN1KMT2AADORA3
SCHEMBL3824860 0.88 MAPT (0.70) MAPTVDRMEN1KMT2AADORA3
SCHEMBL3698818 0.87 MAPT (0.69) MAPTVDRMEN1KMT2AADORA3
SCHEMBL6842113 0.87 MAPT (0.69) MAPTVDRMEN1KMT2AADORA3
SCHEMBL10034118 0.87 MAPT (0.69) MAPTVDRMEN1KMT2AADORA3
SCHEMBL260762 0.87 MAPT (0.69) MAPTVDRMEN1KMT2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093675-A1 NOVEL METHOD BIOXELL S.P.A. (IT) 2010-04-15 US disclosed
US-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY BIOXELL S.P.A. (IT) 2010-03-18 US disclosed
US-20090298800-A1 1,25-DIHYDROXY, 20-CYCLOPROPYL,26-27-DEUTEROALKYL VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF BIOXELL S.P.A. (IT) 2009-12-03 US disclosed
US-20080318911-A1 20-Cyclopropyl, 26,27-Alkyl/Haloalkyl Vitamin D3 Compounds and Methods of Use Thereof BIOXELL S.P.A. (IT) 2008-12-25 US disclosed
US-20080064668-A1 1,3-Diacylated, 26,27-Alkyl/Haloakyl Vitamin D3 Compounds and Methods of Use Thereof BIOXELL S.P.A. (IT) 2008-03-13 US disclosed
US-20080039434-A1 Treatment of Interstitial Cystitis with Vitamin D Compounds BIOXELL S. P.A. (IT) 2008-02-14 US disclosed
US-20070054887-A1 Methods for treating bladder dysfunction BIOXELL S.P.A (IT) 2007-03-08 US disclosed
US-20060258630-A1 More selective and specific immunotherapy with improved side effect reduction; carbon 20 is substituted with methyl or cyclopropyl, carbon 16 is a single or double bond, and carbon 23 is a single, double, or triple bond; vitamin deficiency BIOXELL S.P.A. (IT) 2006-11-16 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 (8 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-20060258630-A1 More selective and specific immunotherapy with improved side effect reduction; carbon 20 is substituted with methyl or cyclopropyl, carbon 16 is a single or double bond, and carbon 23 is a single, double, or triple bond; vitamin deficiency CYP24A1, CYP2R1, VDR MAPT 2652/4885VDR 3/4885MEN1 2384/4885
US-20100069339-A1 NOVEL METHOD OF TREATMENT OF MALE SUB-FERTILITY CYP27B1, CYP2R1, SHBG MAPT 4547/4885VDR 5/4885MEN1 3826/4885
US-20080064668-A1 1,3-Diacylated, 26,27-Alkyl/Haloakyl Vitamin D3 Compounds and Methods of Use Thereof CYP24A1, VDR, CYP2R1 MAPT 4687/4885VDR 2/4885MEN1 1616/4885
US-20080039434-A1 Treatment of Interstitial Cystitis with Vitamin D Compounds VDR, CYP24A1, CYP2R1 MAPT 3603/4885VDR 1/4885MEN1 3963/4885
US-20070054887-A1 Methods for treating bladder dysfunction CYP27B1, CYP24A1, VDR MAPT 3931/4885VDR 3/4885MEN1 3462/4885
US-20080318911-A1 20-Cyclopropyl, 26,27-Alkyl/Haloalkyl Vitamin D3 Compounds and Methods of Use Thereof CYP2R1, CYP24A1, VDR MAPT 4735/4885VDR 3/4885MEN1 4100/4885
US-20090298800-A1 1,25-DIHYDROXY, 20-CYCLOPROPYL,26-27-DEUTEROALKYL VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF CYP24A1, CYP2R1, VDR MAPT 4416/4885VDR 3/4885MEN1 2526/4885
US-20100093675-A1 NOVEL METHOD GC, VDR, CYP24A1 MAPT 4570/4885VDR 2/4885MEN1 3743/4885

“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.