SCHEMBL17679306

SCHEMBL17679306

C=C1CC[C@H](OC(C)=O)C/C1=C/C=C1\CCC[C@@]2(C)C1CC[C@@H]2[C@@H](C)CCCC(C)(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 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 2/20 0.62
CYP3A4 P08684 2/20 0.62
ALOX15 P16050 2/20 0.62
PGR P06401 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
CDC25A P30304 1/20 0.62
HSPD1 P10809 1/20 0.62
HPGD P15428 1/20 0.62
TBXA2R P21731 1/20 0.62
PTGS1 P23219 1/20 0.62
GLRA1 P23415 1/20 0.62
DRD3 P35462 1/20 0.62
HSPE1 P61604 1/20 0.62

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
SCHEMBL13556522 0.94 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL13556500 0.94 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL11240138 0.94 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL9455463 0.94 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL8658871 0.94 MAPT (0.64) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL11649343 0.94 MAPT (0.64) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL11647333 0.94 MAPT (0.64) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL8658872 0.94 MAPT (0.64) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL11742680 0.92 MAPT (0.69) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL11023615 0.92 MAPT (0.74) 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-20160103141-A1 COMPOSITIONS AND METHODS FOR DETECTING VITAMIN D SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-04-14 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-20160103141-A1 COMPOSITIONS AND METHODS FOR DETECTING VITAMIN D CYP24A1, VDR, CYP2R1 MAPT 4253/4885SMN1; SMN2 4796/4885SREBF1 2100/4885

“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.