SCHEMBL4901818

SCHEMBL4901818

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
SREBF1 P36956 1/20 0.66
VDR P11473 7/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ADORA3 P0DMS8 3/20 0.64
ALDH1A1 P00352 2/20 0.64
CYP3A4 P08684 2/20 0.64
ALOX15 P16050 2/20 0.64
PGR P06401 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
CDC25A P30304 1/20 0.64
HSPD1 P10809 1/20 0.64
HPGD P15428 1/20 0.64
TBXA2R P21731 1/20 0.64
PTGS1 P23219 1/20 0.64
GLRA1 P23415 1/20 0.64
DRD3 P35462 1/20 0.64
HSPE1 P61604 1/20 0.64

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
SCHEMBL8934472 0.89 MAPT (0.72) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL3824860 0.88 MAPT (0.70) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL352251 0.87 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL6403771 0.87 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL9455462 0.86 MAPT (0.68) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL4960177 0.85 MAPT (0.74) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL8003899 0.85 MAPT (0.74) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL232217 0.85 MAPT (0.74) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL10034122 0.85 MAPT (0.74) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL6407438 0.85 MAPT (0.73) MAPTSMN1; SMN2SREBF1VDRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280859-A1 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF BIOXELL S.P.A. (IT) 2008-11-13 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 (1 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-20080280859-A1 GEMINI VITAMIN D3 COMPOUNDS AND METHODS OF USE THEREOF VDR, GC, CYP24A1 MAPT 2629/4885SMN1; SMN2 3035/4885SREBF1 1715/4885

“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.