SCHEMBL4739596

SCHEMBL4739596

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.71
CYP2C19 P33261 1/20 0.71
EPHA2 P29317 2/20 0.70
AKR1B10 O60218 1/20 0.70
AKR1B1 P15121 1/20 0.70
EFNA1 P20827 1/20 0.70
PSEN1 P49768 1/20 0.70
PSEN2 P49810 1/20 0.70
GPBAR1 Q8TDU6 1/20 0.70
APH1B Q8WW43 1/20 0.70
NCSTN Q92542 1/20 0.70
APH1A Q96BI3 1/20 0.70
PSENEN Q9NZ42 1/20 0.70
MEN1 O00255 1/20 0.70
LMNA P02545 1/20 0.70
KMT2A Q03164 1/20 0.70
HSD17B10 Q99714 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
INPP5D Q92835 1/20 0.70
CDC25A P30304 5/20 0.61

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
SCHEMBL135273 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL28008854 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL288945 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL7126727 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL14676689 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL19866272 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
SCHEMBL28898907 1.00 CYP2D6 (0.71) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
Water SCHEMBL27578106 0.99 CYP2D6 (0.70) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
Methane SCHEMBL27524872 0.99 CYP2D6 (0.70) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1
Ethane SCHEMBL8333555 0.99 CYP2D6 (0.70) CYP2D6CYP2C19EPHA2AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968891-B Preparation method of plant source 7-ketolithocholic acid 湖南科瑞生物制药股份有限公司 2023-04-07 CN claimed
CN-113968891-A Preparation method of plant source 7-ketolithocholic acid 湖南科瑞生物制药股份有限公司 2022-01-25 CN claimed
CN-1242017-A Meiosis regulating compounds NOVO NORDISK AS (DK) 2000-01-19 CN claimed
WO-1993004672-A1 METHOD FOR ENHANCING THE IMMUNE SYSTEM IN A HOST EMPLOYING LIPOSOME-ENCAPSULATED POLYPEPTIDES PITMAN-MOORE, INC. (US) 1993-03-18 WO claimed
US-20260130856-A1 LIPOSOME COMPOSITIONS FOR DELIVERY OF COMPOUNDS AND METHODS THEREOF NANOTECH PHARMA INC (US) 2026-05-14 US disclosed
CN-115246867-B Method for synthesizing 7-ketolithocholic acid by taking BA as raw material 江苏佳尔科药业集团股份有限公司 2026-05-12 CN disclosed
US-20250319190-A1 APOE LIPOPROTEIN SYSTEMS KISBEE THERAPEUTICS INC (US) 2025-10-16 US disclosed
US-20250263612-A1 Hydrodeoxygenation of Phenolic Lipids and Renewable Hydrocarbon Fuels Produced Therefrom RENEWABLE ENERGY GROUP, INC. (US) 2025-08-21 US disclosed
EP-4601621-A1 LIPOSOME COMPOSITIONS FOR DELIVERY OF COMPOUNDS AND METHODS THEREOF Nanotech Pharma Inc. (US) 2025-08-20 EP disclosed
EP-4583883-A2 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF NUCLEIC ACID-BASED THERAPEUTICS AND METHODS THEREOF Nanotech Pharma Inc. (US) 2025-07-16 EP disclosed
US-12275906-B2 Hydrodeoxygenation of phenolic lipids and renewable hydrocarbon fuels produced therefrom RENEWABLE ENERGY GROUP, INC. (US) 2025-04-15 US disclosed
EP-4522646-A2 APOE LIPOPROTEIN SYSTEMS Kisbee Therapeutics, Inc. (US) 2025-03-19 EP disclosed
WO-1988001274-A1 ACTIVE PRINCIPLE ISOLATED FROM SHARK TISSUES BROADBENT, JAMES, MEREDYTH (AU) 1988-02-25 WO disclosed
WO-1986004893-A1 PROCESS FOR THE PREPARATION OF ALKYL FLUORIDES ZAMBON S.P.A. (IT) 1986-08-28 WO disclosed
US-4189431-A CYCLIZATION OF POLYENINE TO POLYCYCLIC COMPOUND HAVING CYCLOPENTANO RING The Board of Trustees of Leland Stanford Junior University (US) 1980-02-19 US disclosed
US-4129599-A A-Norsteroids THE BOARD OF TRUSTEES OF LELAND STANFORD JR. UNIVERSITY (US) 1978-12-12 US disclosed
US-4064185-A Olefinically unsaturated substituents at C-11 of steroid cyclization precursors THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 1977-12-20 US disclosed
US-4055603-A HORMONES THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 1977-10-25 US disclosed
US-4032579-A POLY-UNSATURATED HYDROXY-ALKYNYL CYCLOPENTENOL THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 1977-06-28 US disclosed
US-3998859-A Introducing Δ11 unsaturation into steroid compounds EASTMAN KODAK COMPANY (US) 1976-12-21 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 (4 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-12275906-B2 Hydrodeoxygenation of phenolic lipids and renewable hydrocarbon fuels produced therefrom ALOX15, ALOX12, ALOX15B CYP2D6 157/4885CYP2C19 465/4885EPHA2 3357/4885
US-20250319190-A1 APOE LIPOPROTEIN SYSTEMS APOB, APOL1, LDLR CYP2D6 1367/4885CYP2C19 2443/4885EPHA2 74/4885
US-20260130856-A1 LIPOSOME COMPOSITIONS FOR DELIVERY OF COMPOUNDS AND METHODS THEREOF SGMS2, SGMS1, LIPA CYP2D6 2933/4885CYP2C19 3246/4885EPHA2 294/4885
US-20250263612-A1 Hydrodeoxygenation of Phenolic Lipids and Renewable Hydrocarbon Fuels Produced Therefrom ALOX15, ALOX12, ALOX15B CYP2D6 157/4885CYP2C19 465/4885EPHA2 3357/4885

“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.