SCHEMBL336387

SCHEMBL336387

CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 1.00
OSBP P22059 5/20 1.00
OSBP2 Q969R2 4/20 1.00
NR1H3 Q13133 4/20 1.00
USP2 O75604 1/20 0.69
LMNA P02545 1/20 0.69
ABCB1 P08183 1/20 0.69
CYP46A1 Q9Y6A2 1/20 0.69
NPC1L1 Q9UHC9 2/20 0.69
CRYAB P02511 1/20 0.69
HMGCR P04035 1/20 0.69
ITGB3 P05106 1/20 0.69
ITGAV P06756 1/20 0.69
SREBF2 Q12772 1/20 0.69
GRIN1 Q05586 3/20 0.67
GRIN2A Q12879 3/20 0.67
GRIN2B Q13224 2/20 0.67
ESR1 P03372 1/20 0.63
SHBG P04278 1/20 0.63
SERPINA6 P08185 1/20 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
SCHEMBL670025 1.00 RORC (1.00) RORCOSBPOSBP2NR1H3USP2
SCHEMBL12258467 1.00 RORC (1.00) RORCOSBPOSBP2NR1H3USP2
SCHEMBL17858117 1.00 RORC (1.00) RORCOSBPOSBP2NR1H3USP2
SCHEMBL670744 1.00 RORC (1.00) RORCOSBPOSBP2NR1H3USP2
SCHEMBL14420779 1.00 RORC (1.00) RORCOSBPOSBP2NR1H3USP2
SCHEMBL289034 1.00 RORC (1.00) RORCOSBPOSBP2NR1H3USP2
SCHEMBL24421641 1.00 RORC (1.00) RORCOSBPOSBP2NR1H3USP2
SCHEMBL6388447 1.00 RORC (1.00) RORCOSBPOSBP2NR1H3USP2
SCHEMBL15945372 1.00 RORC (1.00) RORCOSBPOSBP2NR1H3USP2
SCHEMBL20608159 1.00 RORC (1.00) RORCOSBPOSBP2NR1H3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029742-B2 Compositions and methods for the repair of myelin DUKE UNIVERSITY (US) 2024-07-09 US claimed
WO-2024094027-A1 BLOCKING SEQUENCE, KIT THEREOF, AND METHOD FOR USING SAME 深圳鸿生生物科技有限公司 2024-05-10 WO claimed
WO-2023153464-A1 METHOD FOR ASSESSING DIFFERENTIATION POTENTIAL OF CELLS IN CULTURE BROTH IN DIFFERENTIATION OF PLURIPOTENT STEM CELLS INTO NEURAL CELLS OF MIDBRAIN FLOOR PLATE REGION 住友ファーマ株式会社 2023-08-17 WO claimed
US-20230129151-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MYELIN RELATED AND INFLAMMATION RELATED DISEASES OR DISORDERS DUKE UNIVERSITY (US) 2023-04-27 US claimed
US-20220409632-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN DUKE UNIVERSITY (US) 2022-12-29 US claimed
EP-3911302-A1 DRUG DELIVERY SYSTEMS CONTAINING OXIDIZED CHOLESTEROLS Georgia Tech Research Corporation (US) 2021-11-24 EP claimed
US-11116729-B2 Drug delivery systems containing oxidized cholesterols GEORGIA TECH RESEARCH CORPORATION (US) 2021-09-14 US claimed
US-20210161916-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN DUKE UNIVERSITY 2021-06-03 US claimed
US-20200246273-A1 DRUG DELIVERY SYSTEMS CONTAINING OXIDIZED CHOLESTEROLS GEORGIA TECH RESEARCH CORPORATION 2020-08-06 US claimed
WO-2020150320-A1 DRUG DELIVERY SYSTEMS CONTAINING OXIDIZED CHOLESTEROLS GEORGIA TECH RESEARCH CORPORATION (US) 2020-07-23 WO claimed
EP-2771696-A2 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY InfanDx AG (DE) 2014-09-03 EP claimed
WO-2013060788-A2 METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY INFANDX AG (DE) 2013-05-02 WO claimed
EP-2587264-A1 Method and use of metabolites for the diagnosis and differentiation of neonatal encephalopathy InfanDx AG (DE) 2013-05-01 EP claimed
WO-2011080184-A1 USE OF ENDOGENOUS METABOLITES FOR EARLY DIAGNOSING SEPSIS BIOCRATES LIFE SCIENCES AG (AT) 2011-07-07 WO claimed
EP-2339352-A1 Use of endogenous metabolites for early diagnosing sepsis BIOCRATES Life Sciences AG (AT) 2011-06-29 EP claimed
US-20090202660-A1 Agents and Methods for Osteogenic Oxysterols Inhibition of Oxidative Stress on Osteogenic Cellular Differentiation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-13 US claimed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
WO-2005022167-A2 COMPOUNDS THAT ACT TO MODULATE INSECT GROWTH AND METHODS AND SYSTEMS FOR IDENTIFYING SUCH COMPOUNDS THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2005-03-10 WO claimed
US-20050049230-A1 Compounds that act to modulate insect growth and methods and systems for identifying such compounds UNIVERSITY OF NORTH CAROLINA AT GREENSBORO, THE 2005-03-03 US claimed
US-5856202-A Method for determining antistreptolysin O antibody ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1999-01-05 US claimed

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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD RORC 660/4885OSBP 3168/4885OSBP2 3976/4885
US-20230129151-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MYELIN RELATED AND INFLAMMATION RELATED DISEASES OR DISORDERS PMP22, MAG, MYT1 RORC 9/4885OSBP 76/4885OSBP2 98/4885
US-12029742-B2 Compositions and methods for the repair of myelin PMP22, MAG, CYP27A1 RORC 452/4885OSBP 15/4885OSBP2 23/4885
US-20050049230-A1 Compounds that act to modulate insect growth and methods and systems for identifying such compounds FXR2, FXR1, NR1H2 RORC 102/4885OSBP 60/4885OSBP2 83/4885
US-20210161916-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN PMP22, MAG, CYP27A1 RORC 452/4885OSBP 15/4885OSBP2 23/4885
US-20220409632-A1 COMPOSITIONS AND METHODS FOR THE REPAIR OF MYELIN PMP22, MAG, CYP27A1 RORC 452/4885OSBP 15/4885OSBP2 23/4885

“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.