25-Hydroxyergocalciferol-

25-Hydroxyergocalciferol-

SCHEMBL9933379

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

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.78
ALOX15 P16050 3/20 0.78
CYP3A4 P08684 3/20 0.78
LMNA P02545 2/20 0.78
HSPD1 P10809 2/20 0.78
PTGS1 P23219 2/20 0.78
HSPE1 P61604 2/20 0.78
ADRA1A P35348 2/20 0.78
AR P10275 1/20 0.78
TSHR P16473 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2C19 P33261 1/20 0.78
USP2 O75604 1/20 0.78
ABCB11 O95342 1/20 0.78
ESR1 P03372 1/20 0.78
TST Q16762 1/20 0.78
MAPT P10636 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
SREBF1 P36956 1/20 0.68
VDR P11473 4/20 0.64

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
25-Hydroxyergocalciferol- SCHEMBL15981129 1.00 ALDH1A1 (0.78) ALDH1A1ALOX15CYP3A4LMNAHSPD1
25-Hydroxyergocalciferol- SCHEMBL19469428 1.00 ALDH1A1 (0.78) ALDH1A1ALOX15CYP3A4LMNAHSPD1
25-Hydroxyergocalciferol- SCHEMBL15981131 1.00 ALDH1A1 (0.78) ALDH1A1ALOX15CYP3A4LMNAHSPD1
25-Hydroxyergocalciferol- SCHEMBL10034123 1.00 ALDH1A1 (0.78) ALDH1A1ALOX15CYP3A4LMNAHSPD1
25-Hydroxyergocalciferol- SCHEMBL285346 1.00 ALDH1A1 (0.78) ALDH1A1ALOX15CYP3A4LMNAHSPD1
25-Hydroxyergocalciferol- SCHEMBL465799 1.00 ALDH1A1 (0.78) ALDH1A1ALOX15CYP3A4LMNAHSPD1
25-Hydroxyergocalciferol- SCHEMBL12464610 1.00 ALDH1A1 (0.78) ALDH1A1ALOX15CYP3A4LMNAHSPD1
25-Hydroxyergocalciferol- SCHEMBL17274134 1.00 ALDH1A1 (0.78) ALDH1A1ALOX15CYP3A4LMNAHSPD1
25-Hydroxyergocalciferol- SCHEMBL1879846 1.00 ALDH1A1 (0.78) ALDH1A1ALOX15CYP3A4LMNAHSPD1
25-Hydroxyergocalciferol- SCHEMBL9933381 1.00 ALDH1A1 (0.78) ALDH1A1ALOX15CYP3A4LMNAHSPD1

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-2768803-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES Wisconsin Alumni Research Foundation (US) 2014-08-27 EP disclosed
EP-2768804-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
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-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
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 ALDH1A1 479/4885ALOX15 710/4885CYP3A4 982/4885
US-20130102574-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES CYP24A1, VDR, CYP27B1 ALDH1A1 142/4885ALOX15 743/4885CYP3A4 1007/4885
US-20130331459-A1 A-Ring Modified 19-Nor-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 ALDH1A1 2745/4885ALOX15 343/4885CYP3A4 918/4885
US-20120157418-A1 2-Methylene-19-Nor-Vitamin D Analogs and Their Uses CYP24A1, CYP2R1, CYP27B1 ALDH1A1 185/4885ALOX15 347/4885CYP3A4 178/4885
US-20130102573-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES VDR, CYP24A1, CYP2R1 ALDH1A1 291/4885ALOX15 626/4885CYP3A4 1232/4885
US-20120322775-A1 3-Desoxy-2-Methylene-19-Nor-Vitamin D Analogs and Their Uses VDR, CYP24A1, CYP2R1 ALDH1A1 458/4885ALOX15 321/4885CYP3A4 668/4885

“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.