SCHEMBL4974563

SCHEMBL4974563

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C(F)C1(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 3/20 0.68
ALDH1A1 P00352 2/20 0.68
CYP3A4 P08684 2/20 0.68
ALOX15 P16050 2/20 0.68
ADORA3 P0DMS8 2/20 0.68
VDR P11473 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
CDC25A P30304 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
PGR P06401 1/20 0.68
HSPD1 P10809 1/20 0.68
HPGD P15428 1/20 0.68
TBXA2R P21731 1/20 0.68
PTGS1 P23219 1/20 0.68
GLRA1 P23415 1/20 0.68
DRD3 P35462 1/20 0.68
HSPE1 P61604 1/20 0.68
HSD17B10 Q99714 1/20 0.68

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
SCHEMBL1890289 0.87 MEN1 (0.71) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL7516578 0.86 MEN1 (0.81) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL11129087 0.86 MEN1 (0.81) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL10888072 0.85 ADORA3 (0.73) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL3727604 0.85 ADORA3 (0.73) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL9813893 0.85 MAPT (0.71) MAPTADORA3VDRSMN1; SMN2PGR
SCHEMBL7518557 0.84 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL22577759 0.83 MAPT (0.77) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL11681021 0.83 ADORA3 (0.76) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL378182 0.83 MAPT (0.77) MEN1KMT2AMAPTALDH1A1CYP3A4

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-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-5039671-A Bone disorders; calcium or phosphorus inbalance HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed
US-4906785-A Novel trifluorinated vitamin D3 intermediates HOFFMANN-LA ROCHE INC. (US) 1990-03-06 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-20080064668-A1 1,3-Diacylated, 26,27-Alkyl/Haloakyl Vitamin D3 Compounds and Methods of Use Thereof CYP24A1, VDR, CYP2R1 MEN1 1616/4885KMT2A 3681/4885MAPT 4687/4885

“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.