SCHEMBL14112643

SCHEMBL14112643

C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@@H](C)CCCC(C)(C(F)(F)F)C(F)(F)F)CC[C@@H]12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
SREBF1 P36956 1/20 0.62
VDR P11473 6/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 2/20 0.58
PGR P06401 2/20 0.58
ADORA3 P0DMS8 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
CDC25A P30304 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

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
SCHEMBL14112646 1.00 MAPT (0.62) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL7264390 0.90 VDR (0.69) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL14112623 0.90 MAPT (0.62) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL14112622 0.90 MAPT (0.62) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL16317843 0.90 MAPT (0.62) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL14112644 0.89 VDR (0.66) MAPTSMN1; SMN2SREBF1VDRPGR
SCHEMBL5433646 0.88 VDR (0.60) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL5437551 0.88 VDR (0.60) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL8090430 0.88 MAPT (0.57) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL8769851 0.87 MAPT (0.60) 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-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone QUATRX PHARMACEUTICALS CO. 2008-07-17 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-20080171728-A1 Efficient Process for Preparing Steroids and Vitamin D Derivatives With the Unnatural Configuration at C20 (20 Alpha-Methyl) from Pregnenolone CYP2R1, CYP24A1, VDR MAPT 4708/4885SMN1; SMN2 4629/4885SREBF1 199/4885

“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.