Ergocalciferol

Ergocalciferol

SCHEMBL3422

C=C1CC[C@H](O)CC1=CC=C1CCC[C@]2(C)[C@@H]([C@H](C)C=C[C@H](C)C(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 Ergocalciferol. 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 4/20 0.77
ALDH1A1 P00352 3/20 1.00
ALOX15 P16050 3/20 1.00
CYP3A4 P08684 3/20 1.00
LMNA P02545 2/20 1.00
HSPD1 P10809 2/20 1.00
PTGS1 P23219 2/20 1.00
HSPE1 P61604 2/20 1.00
ADRA1A P35348 2/20 1.00
AR P10275 1/20 1.00
TSHR P16473 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
USP2 O75604 1/20 1.00
ABCB11 O95342 1/20 1.00
ESR1 P03372 1/20 1.00
TST Q16762 1/20 1.00
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
PGR P06401 3/20 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
Ergocalciferol SCHEMBL12346036 1.00 ALDH1A1 (1.00) ALDH1A1ALOX15CYP3A4LMNAHSPD1
Ergocalciferol SCHEMBL3421 1.00 ALDH1A1 (1.00) ALDH1A1ALOX15CYP3A4LMNAHSPD1
Ergocalciferol SCHEMBL12322071 1.00 ALDH1A1 (1.00) ALDH1A1ALOX15CYP3A4LMNAHSPD1
Ergocalciferol SCHEMBL3228635 1.00 ALDH1A1 (1.00) ALDH1A1ALOX15CYP3A4LMNAHSPD1
Ergocalciferol SCHEMBL24855744 1.00 ALDH1A1 (1.00) ALDH1A1ALOX15CYP3A4LMNAHSPD1
Ergocalciferol SCHEMBL4140479 1.00 ALDH1A1 (1.00) ALDH1A1ALOX15CYP3A4LMNAHSPD1
Ergocalciferol SCHEMBL24565106 1.00 ALDH1A1 (1.00) ALDH1A1ALOX15CYP3A4LMNAHSPD1
Ergocalciferol SCHEMBL9980609 1.00 ALDH1A1 (1.00) ALDH1A1ALOX15CYP3A4LMNAHSPD1
Ergocalciferol SCHEMBL3420 1.00 ALDH1A1 (1.00) ALDH1A1ALOX15CYP3A4LMNAHSPD1
Ergocalciferol SCHEMBL20510995 1.00 ALDH1A1 (1.00) 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

Appears in 27721 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747627-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS Matterworks Inc (US) 2026-05-27 EP claimed
CN-119949528-B Composition with effect of improving bone mineral density and preparation method, application and product thereof GUANGDONG JUNJOY NUTRITIONAL MEDICINE Co.,Ltd. (CN) 2026-05-26 CN claimed
US-12636251-B1 Glycoside-containing aqueous formulations having a lipophilic active component Doane Technology Group LLC (US) 2026-05-26 US claimed
US-20260137082-A1 FUNGICIDAL COMPOSITIONS COMPRISING FLUDIOXONIL SYNGENTA CROP PROTECTION AG (CH) 2026-05-21 US claimed
US-20260139860-A1 PRODUCTS OF MANUFACTURE FOR THE TREATMENT, PREVENTION AND AMELIORATION OF MICROBIAL INFECTIONS CENTRE FOR DIGESTIVE DISEASES (AU) 2026-05-21 US claimed
US-20260139254-A1 INTERFERING RNA FOR INHIBITING TOP1 GENE EXPRESSION AND USE THEREOF JENKEM TECH CO LTD BEIJING (CN) 2026-05-21 US claimed
EP-4743110-A1 LYME DISEASE VACCINES COMPRISING AN ADJUVANT AND BORRELIA OUTER SURFACE PROTEIN A AND C ANTIGENS Dynavax Technologies Corporation (US) 2026-05-20 EP claimed
EP-4297723-B1 MICRONEEDLE COMPOSITIONS AND METHODS OF DELIVERY USING THE SAME BRIGHAM & WOMENS HOSPITAL INC (US) 2026-05-20 EP claimed
EP-4743109-A1 LYME DISEASE VACCINES COMPRISING AN ADJUVANT AND A BORRELIA OUTER SURFACE PROTEIN A ANTIGEN Dynavax Technologies Corporation (US) 2026-05-20 EP claimed
EP-2991482-B1 PACKAGED RODENTICIDAL BAIT BASF AGRO BV (NL) 2026-05-20 EP claimed
EP-0127086-B1 PROCESS FOR THE PURIFICATION OF VITAMIN D3 AND OF VITAMIN D2 BASF Aktiengesellschaft (DE) 1986-10-29 EP claimed
EP-0192367-A2 Chewable mineral supplement WARNER-LAMBERT COMPANY (US) 1986-08-27 EP claimed
EP-0191128-A1 Topical preparations for human skin irratations TERAD International, Inc. (US) 1986-08-20 EP claimed
EP-0191044-A1 DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION. LEO PHARM PROD LTD (DK) 1986-08-20 EP claimed
US-4582709-A EDIBLE POLYOL AND MINERALS MIXED INTO SOFT CANDY BASE WARNER-LAMBERT COMPANY (US) 1986-04-15 US claimed
WO-1986000902-A1 DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1986-02-13 WO claimed
EP-0148303-A1 Dietetic composition von Mletzko, Armin, Dr. (DE) 1985-07-17 EP claimed
EP-0078704-A1 Intermediates in the synthesis of vitamin D derivatives RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) 1983-05-11 EP claimed
EP-0077353-A1 1-HYDROXYLATION PROCESS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1983-04-27 EP claimed
WO-1982003864-A1 1-HYDROXYLATION PROCESS WISCONSIN ALUMNI RES FOUND (US) 1982-11-11 WO claimed