Calcifediol Anhydrous

Calcifediol Anhydrous

SCHEMBL12633974

C=C1CC[C@H](O)C/C1=C/C=C1\CCCC2(C)[C@@H]([C@H](C)CCCC(C)(C)O)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 Calcifediol Anhydrous. 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 8/20 0.82
▸ MAPT P10636 5/20 1.00
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ SREBF1 P36956 1/20 1.00
▸ MEN1 O00255 3/20 0.82
▸ KMT2A Q03164 3/20 0.82
▸ ALDH1A1 P00352 2/20 0.82
▸ CYP3A4 P08684 2/20 0.82
▸ ALOX15 P16050 2/20 0.82
▸ PGR P06401 2/20 0.82
▸ ADORA3 P0DMS8 2/20 0.82
▸ TDP1 Q9NUW8 1/20 0.82
▸ CDC25A P30304 1/20 0.82
▸ HSPD1 P10809 1/20 0.82
▸ HPGD P15428 1/20 0.82
▸ TBXA2R P21731 1/20 0.82
▸ PTGS1 P23219 1/20 0.82
▸ GLRA1 P23415 1/20 0.82
▸ DRD3 P35462 1/20 0.82
▸ HSPE1 P61604 1/20 0.82

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
Calcifediol Anhydrous SCHEMBL15263245 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL9083623 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL5614028 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL24102681 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL15168893 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL24051907 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL15168894 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL24571935 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL22403256 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL13887495 1.00 MAPT (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150374722-A1 Once-a-Week Administration of 25-Hydroxy Vitamin D3 to Sustain Elevated Steady-State Pharmacokinetic Blood Concentration WISCONSIN ALUMNI RESEARCH FOUNDATION 2015-12-31 — — US disclosed
US-20150374722-A1 Once-a-Week Administration of 25-Hydroxy Vitamin D3 to Sustain Elevated Steady-State Pharmacokinetic Blood Concentration WISCONSIN ALUMNI RESEARCH FOUNDATION 2015-12-31 — — US disclosed
US-8759328-B2 Once-a-week administration of 25-hydroxy vitamin D3 to sustain elevated steady-state pharmacokinetic blood concentration WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-06-24 — — US disclosed
US-8759328-B2 Once-a-week administration of 25-hydroxy vitamin D3 to sustain elevated steady-state pharmacokinetic blood concentration WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-06-24 — — US disclosed
US-20110105444-A1 ONCE-A-WEEK ADMINISTRATION OF 25-HYDROXY VITAMIN D3 TO SUSTAIN ELEVATED STEADY-STATE PHARMACOKINETIC BLOOD CONCENTRATION WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-05-05 — — US disclosed
US-20110105444-A1 ONCE-A-WEEK ADMINISTRATION OF 25-HYDROXY VITAMIN D3 TO SUSTAIN ELEVATED STEADY-STATE PHARMACOKINETIC BLOOD CONCENTRATION WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-05-05 — — 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 (2 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-20150374722-A1 Once-a-Week Administration of 25-Hydroxy Vitamin D3 to Sustain Elevated Steady-State Pharmacokinetic Blood Concentration CYP24A1, CYP2R1, VDR VDR 3/4885MAPT 4470/4885SMN1; SMN2 1515/4885
US-20110105444-A1 ONCE-A-WEEK ADMINISTRATION OF 25-HYDROXY VITAMIN D3 TO SUSTAIN ELEVATED STEADY-STATE PHARMACOKINETIC BLOOD CONCENTRATION CYP24A1, CYP2R1, VDR VDR 3/4885MAPT 4470/4885SMN1; SMN2 1515/4885

“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.

Send feedback