Ercalcitriol

Ercalcitriol

SCHEMBL465997

C=C1C(=CC=C2CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)C=C[C@H](C)C(C)(C)O)C[C@@H](O)CC1O

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.80
ADORA3 P0DMS8 3/20 0.78
SLC6A2 P23975 3/20 0.78
NR1I2 O75469 2/20 0.78
PGR P06401 2/20 0.78
SLC6A4 P31645 2/20 0.78
ADRA1A P35348 2/20 0.78
PTGS2 P35354 2/20 0.78
HTR1A P08908 1/20 0.78
MAPT P10636 2/20 0.71
AGTR1 P30556 2/20 0.71
ABCB11 O95342 1/20 0.71
GC P02774 1/20 0.71
RXRA P19793 1/20 0.71
CHRM3 P20309 1/20 0.71
CNR1 P21554 1/20 0.71
HTR2C P28335 1/20 0.71
MAPK1 P28482 1/20 0.71
OPRD1 P41143 1/20 0.71
OPRK1 P41145 1/20 0.71

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
Ercalcitriol SCHEMBL12922723 1.00 VDR (0.80) VDRADORA3SLC6A2NR1I2PGR
Ercalcitriol SCHEMBL17274136 1.00 VDR (0.80) VDRADORA3SLC6A2NR1I2PGR
Ercalcitriol SCHEMBL4393978 1.00 VDR (0.80) VDRADORA3SLC6A2NR1I2PGR
Ercalcitriol SCHEMBL264876 1.00 VDR (0.80) VDRADORA3SLC6A2NR1I2PGR
Ercalcitriol SCHEMBL264875 1.00 VDR (0.80) VDRADORA3SLC6A2NR1I2PGR
Ercalcitriol SCHEMBL4398182 1.00 VDR (0.80) VDRADORA3SLC6A2NR1I2PGR
Ercalcitriol SCHEMBL23142603 1.00 VDR (0.80) VDRADORA3SLC6A2NR1I2PGR
Ercalcitriol SCHEMBL8776000 1.00 VDR (0.80) VDRADORA3SLC6A2NR1I2PGR
Ercalcitriol SCHEMBL9050396 1.00 VDR (0.80) VDRADORA3SLC6A2NR1I2PGR
Ercalcitriol SCHEMBL21433255 1.00 VDR (0.80) VDRADORA3SLC6A2NR1I2PGR

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080038374-A1 New Use LIPOPEPTIDE AB (SE) 2008-02-14 US claimed
EP-1781302-A1 NEW USE Lipopeptide AB (SE) 2007-05-09 EP claimed
US-20060281813-A1 Methods of treating hyperproliferative cell disorders RUBIN CHARLES 2006-12-14 US claimed
EP-1628631-A2 METHODS OF TREATING HYPERPROLIFERATIVE CELL DISORDERS Achkar, Charles C. (US) 2006-03-01 EP claimed
WO-2006011849-A1 NEW USE LIPOPEPTIDE AB (SE) 2006-02-02 WO claimed
EP-1104294-B1 COMPOSITIONS AND METHODS OF TREATING ABNORMAL CELL PROLIFERATION LEO PHARMA A S (DK) 2005-09-28 EP claimed
WO-2005000230-A2 METHODS OF TREATING HYPERPROLIFERATIVE CELL DISORDERS ACHKAR CHARLES (US) 2005-01-06 WO claimed
US-6552009-B2 Vitamin D analog and a retinoid, wherein: the retinoid is 4-oxo-retinol, 4-oxo- retinal, or 4-oxo-retinyl ester; also restoring the natural color of gray hair; treating hair and skin disorders GENTRIX LLC 2003-04-22 US claimed
US-20010049365-A1 Vitamin D analog and a retinoid, wherein: the retinoid is 4-oxo-retinol, 4-oxo- retinal, or 4-oxo-retinyl ester; also restoring the natural color of gray hair; treating hair and skin disorders LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-12-06 US claimed
US-6242435-B1 VITAMIN D ANALOG AND A RETINOID GENTRIX LLC 2001-06-05 US claimed
US-20010002396-A1 COMPOSITIONS AND METHODS OF TREATING SKIN CONDITIONS GENTRIX LLC 2001-05-31 US claimed
US-4225596-A Method for treating calcium imbalance and improving calcium absorption in mammals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1980-09-30 US claimed
EP-4065592-B1 COCRYSTALS OF STEROID AND SECOSTEROID COMPOUNDS AND COMPOSITIONS COMPRISING THEM CENTER FOR INTELLIGENT RES IN CRYSTAL ENGINEERING S L (ES) 2024-01-10 EP disclosed
US-20230251277-A1 METHOD FOR DETERMINING THE LEVEL OF VITAMIN D AND METABOLITES THEREOF ROCHE DIAGNOSTICS OPERATIONS, INC. 2023-08-10 US disclosed
US-20230001012-A1 COCRYSTALS OF STEROID AND SECOSTEROID COMPOUNDS AND COMPOSITIONS COMPRISING THEM CENTER FOR INTELLIGENT RESEARCH IN CRYSTAL ENGINEERING, S.L. (ES) 2023-01-05 US disclosed
EP-4065592-A1 COCRYSTALS OF STEROID AND SECOSTEROID COMPOUNDS AND COMPOSITIONS COMPRISING THEM Center for Intelligent Research in Crystal Engineering, S.L. (ES) 2022-10-05 EP disclosed
US-4307231-A Vitamin D-lactone derivative and process for preparing same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1981-12-22 US disclosed
US-4225596-A Method for treating calcium imbalance and improving calcium absorption in mammals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1980-09-30 US disclosed
US-3880894-A 1,25-Dihydroxyergocalciferol WISCONSIN ALUMNI RES FOUND 1975-04-29 US disclosed
US-3880894-A 1,25-Dihydroxyergocalciferol WISCONSIN ALUMNI RES FOUND 1975-04-29 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 (3 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-20010049365-A1 Vitamin D analog and a retinoid, wherein: the retinoid is 4-oxo-retinol, 4-oxo- retinal, or 4-oxo-retinyl ester; also restoring the natural color of gray hair; treating hair and skin disorders RBP4, VDR, CYP24A1 VDR 2/4885ADORA3 430/4885SLC6A2 4566/4885
US-20060281813-A1 Methods of treating hyperproliferative cell disorders HRAS, CDC73, MKI67 VDR 14/4885ADORA3 4103/4885SLC6A2 4332/4885
US-20230001012-A1 COCRYSTALS OF STEROID AND SECOSTEROID COMPOUNDS AND COMPOSITIONS COMPRISING THEM HSD3B1, HSD3B2, NR3C2 VDR 234/4885ADORA3 3162/4885SLC6A2 1144/4885

“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.