Calcifediol Anhydrous

Calcifediol Anhydrous

SCHEMBL9933434

C=C1CC[C@H](O)C/C1=C/C=C1CCC[C@@]2(C)C1CC[C@@H]2[C@@H](C)CCCC(C)(C)O

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 SCHEMBL10018928 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL13301741 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL3296 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL24102681 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL5614025 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL24051907 1.00 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRMEN1
Calcifediol Anhydrous SCHEMBL14112503 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 SCHEMBL12349027 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768804-B1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RES FOUND (US) 2018-02-28 EP disclosed
EP-2768803-B1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RES FOUND (US) 2017-11-22 EP disclosed
EP-2721004-B1 3-DESOXY-2-METHYLENE-19-NOR-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RES FOUND (US) 2017-07-26 EP disclosed
US-8993547-B2 3-desoxy-2-methylene-19-nor-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-03-31 US disclosed
EP-2768804-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES Wisconsin Alumni Research Foundation (US) 2014-08-27 EP disclosed
EP-2768803-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES Wisconsin Alumni Research Foundation (US) 2014-08-27 EP disclosed
US-8785422-B2 A-ring modified 19-nor-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-07-22 US disclosed
US-8729054-B2 3-desoxy-2-methylene-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-05-20 US disclosed
EP-2721004-A1 3-DESOXY-2-METHYLENE-19-NOR-VITAMIN D ANALOGS AND THEIR USES Wisconsin Alumni Research Foundation (US) 2014-04-23 EP disclosed
US-20130331459-A1 A-Ring Modified 19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-12-12 US disclosed
US-8455467-B2 2-methylene-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-06-04 US disclosed
US-20130102573-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
US-20130102567-A1 3-Desoxy-2-Methylene-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
WO-2013059021-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 WO disclosed
US-20130102574-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 US disclosed
WO-2013059060-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES WISCONSON ALUMNI RESEARCH FOUNDATION (US) 2013-04-25 WO disclosed
US-8410080-B1 2-methylene-vitamin D analogs and their uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-02 US disclosed
US-20120322775-A1 3-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-12-20 US disclosed
WO-2012174095-A1 3-DESOXY-2-METHYLENE-19-NOR-VITAMIN D ANALOGS AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-12-20 WO disclosed
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-06-21 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 (6 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-20130102567-A1 3-Desoxy-2-Methylene-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 VDR 1/4885MAPT 3505/4885SMN1; SMN2 3677/4885
US-20130102574-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES CYP24A1, VDR, CYP27B1 VDR 2/4885MAPT 3959/4885SMN1; SMN2 3169/4885
US-20130331459-A1 A-Ring Modified 19-Nor-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 VDR 1/4885MAPT 4532/4885SMN1; SMN2 4498/4885
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses CYP24A1, CYP2R1, CYP27B1 VDR 4/4885MAPT 4259/4885SMN1; SMN2 2948/4885
US-20130102573-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES VDR, CYP24A1, CYP2R1 VDR 1/4885MAPT 3823/4885SMN1; SMN2 3219/4885
US-20120322775-A1 3-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 VDR 1/4885MAPT 3557/4885SMN1; SMN2 3878/4885

“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.