SCHEMBL29504071

SCHEMBL29504071

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.74
▸ ALOX15 P16050 3/20 0.74
▸ CYP3A4 P08684 3/20 0.74
▸ LMNA P02545 2/20 0.74
▸ HSPD1 P10809 2/20 0.74
▸ PTGS1 P23219 2/20 0.74
▸ HSPE1 P61604 2/20 0.74
▸ ADRA1A P35348 2/20 0.74
▸ AR P10275 1/20 0.74
▸ TSHR P16473 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ USP2 O75604 1/20 0.74
▸ ABCB11 O95342 1/20 0.74
▸ ESR1 P03372 1/20 0.74
▸ TST Q16762 1/20 0.74
▸ MAPT P10636 3/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ SREBF1 P36956 1/20 0.67
▸ VDR P11473 5/20 0.63

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
SCHEMBL30253339 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL31602211 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL15261726 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL4948460 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1249402 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL19733279 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL18393817 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1249404 1.00 ALDH1A1 (0.74) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL5917213 0.93 ALDH1A1 (0.72) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL5917211 0.93 ALDH1A1 (0.72) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025108575-A1 METHODS OF SELECTIVE DEPROTECTION AND SYNTHESIS OF TRANSHYDRINDANE- SKELETON-BASED COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2025-05-30 — — WO claimed
CN-114460314-B Multivitamin D analogue detection kit and detection method 普迈德(北京)科技有限公司 2022-06-24 — — CN claimed
CN-114460314-A Detection kit and detection method for multivitamin D analogues 普迈德(北京)科技有限公司 2022-05-10 — — CN claimed
EP-4627350-A1 DETECTION OF AN ANALYTE OF INTEREST BY A CHIP BASED NANOESI DETECTION SYSTEM F. Hoffmann-La Roche AG (CH) 2025-10-08 — — EP disclosed
WO-2025108575-A1 METHODS OF SELECTIVE DEPROTECTION AND SYNTHESIS OF TRANSHYDRINDANE- SKELETON-BASED COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2025-05-30 — — WO disclosed
CN-119322137-A Liquid chromatography tandem mass spectrometry detection method for serum vitamin D metabolic pathway metabolites 凯莱谱科技股份有限公司 2025-01-17 — — CN disclosed
CN-118302668-A Method for determining target analytes by frequency detection 豪夫迈·罗氏有限公司 2024-07-05 — — CN disclosed
WO-2024115685-A1 DETECTION OF AN ANALYTE OF INTEREST BY A CHIP BASED NANOESI DETECTION SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 2024-06-06 — — WO disclosed
US-11752158-B2 Method of treating vitamin D insufficiency and deficiency EIRGEN PHARMA LTD. (IE) 2023-09-12 — — US disclosed
CN-116710783-A Detection of target analytes by cross-spray ESI mass spectrometry 豪夫迈·罗氏有限公司 2023-09-05 — — CN disclosed
CN-116615649-A Automated clinical diagnostic system and method 豪夫迈·罗氏有限公司 2023-08-18 — — CN disclosed
CN-116323568-A Detection of target analytes by nanoESI mass spectrometry 豪夫迈·罗氏有限公司 2023-06-23 — — CN disclosed
CN-115997270-A Method for determining at least one analyte of interest 豪夫迈·罗氏有限公司 2023-04-21 — — CN disclosed
CN-113311080-B Joint detection method for multiple vitamin D metabolites, detection kit and application thereof 中国医学科学院北京协和医院 2023-02-21 — — CN disclosed
CN-115667934-A Reagent for mass spectrometry 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
CN-115667223-A Imidazolium reagents for mass spectrometry 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
CN-115667933-A Reagent for mass spectrometry 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
CN-115667220-A Benzyl pyridinium reagent for mass spectrum 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
CN-114460314-B Multivitamin D analogue detection kit and detection method 普迈德(北京)科技有限公司 2022-06-24 — — CN disclosed
CN-114460314-A Detection kit and detection method for multivitamin D analogues 普迈德(北京)科技有限公司 2022-05-10 — — CN disclosed
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