Cholecalciferol

Cholecalciferol

SCHEMBL4873580

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

VDR

The experimentally established mechanism targets of Cholecalciferol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR known ✓ P11473 2/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
MAPT P10636 3/20 1.00
ALDH1A1 P00352 3/20 1.00
CYP3A4 P08684 3/20 1.00
ALOX15 P16050 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
ADORA3 P0DMS8 2/20 1.00
HSPD1 P10809 2/20 1.00
PTGS1 P23219 2/20 1.00
HSPE1 P61604 2/20 1.00
TDP1 Q9NUW8 1/20 1.00
CDC25A P30304 1/20 1.00
PGR P06401 1/20 1.00
HPGD P15428 1/20 1.00
TBXA2R P21731 1/20 1.00
GLRA1 P23415 1/20 1.00
DRD3 P35462 1/20 1.00
HSD17B10 Q99714 1/20 1.00

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
Cholecalciferol SCHEMBL8082779 1.00 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL13475366 1.00 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL4545272 1.00 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL2734123 1.00 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL13717177 1.00 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL23878716 1.00 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL13989117 1.00 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL21264875 1.00 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL20511118 1.00 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1CYP3A4
Cholecalciferol SCHEMBL15695 1.00 MEN1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486374-B2 Alcohol-free drug or cosmetics carrier mixture of water, hydrophobic solvent, surfactant and gelling agent; oil in water emulsions FOAMIX LTD. (IL) 2013-07-16 US disclosed
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2008-12-04 US disclosed
US-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT FOAMIX PHARMACEUTICALS LTD. (IL) 2008-11-27 US disclosed
US-20080063607-A1 Oleaginous pharmaceutical and cosmetic foam FOAMIX LTD 2008-03-13 US disclosed
US-20070292461-A1 Oleaginous pharmaceutical and cosmetic foam FOAMIX LTD. (IL) 2007-12-20 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 (4 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-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT SSTR2, SSTR3, LPXN VDR 1913/4885MEN1 1005/4885KMT2A 3672/4885
US-20070292461-A1 Oleaginous pharmaceutical and cosmetic foam LIPA, LIPC, PLIN3 VDR 3807/4885MEN1 3488/4885KMT2A 4543/4885
US-20080063607-A1 Oleaginous pharmaceutical and cosmetic foam LIPA, LIPC, PLIN3 VDR 3807/4885MEN1 3488/4885KMT2A 4543/4885
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES LIPA, PHOSPHO1, MYO1G VDR 2066/4885MEN1 3419/4885KMT2A 4572/4885

“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.