SCHEMBL4979145

SCHEMBL4979145

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\CC(F)(F)C(F)(F)[C@@](O)(F)C3F)CCC[C@]12C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 3/20 0.60
CDC25B P30305 1/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
VDR P11473 3/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 2/20 0.58
MAPT P10636 2/20 0.58
ALOX15 P16050 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
PGR P06401 1/20 0.58
HSPD1 P10809 1/20 0.58
HPGD P15428 1/20 0.58
TBXA2R P21731 1/20 0.58
PTGS1 P23219 1/20 0.58
GLRA1 P23415 1/20 0.58
DRD3 P35462 1/20 0.58
HSPE1 P61604 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL3308114 0.85 MEN1 (0.59) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL3308113 0.85 MEN1 (0.59) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL4974568 0.82 VDR (0.70) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL8440710 0.80 ADORA3 (0.61) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL9330205 0.80 MAPT (0.71) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL6940534 0.79 VDR (0.70) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL4879127 0.79 CDC25A (0.67) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL7518557 0.78 MEN1 (0.69) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL8003899 0.77 MAPT (0.74) CDC25ACDC25BMEN1KMT2AVDR
SCHEMBL10034122 0.77 MAPT (0.74) CDC25ACDC25BMEN1KMT2AVDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 CDC25A 2638/4885CDC25B 2665/4885MEN1 2384/4885
US-20080064668-A1 1,3-Diacylated, 26,27-Alkyl/Haloakyl Vitamin D3 Compounds and Methods of Use Thereof CYP24A1, VDR, CYP2R1 CDC25A 3671/4885CDC25B 4106/4885MEN1 1616/4885
US-20080318911-A1 20-Cyclopropyl, 26,27-Alkyl/Haloalkyl Vitamin D3 Compounds and Methods of Use Thereof CYP2R1, CYP24A1, VDR CDC25A 2967/4885CDC25B 2977/4885MEN1 4100/4885

“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.