SCHEMBL4423004

SCHEMBL4423004

CCCCCCCCCCCCCCC(C)C(=O)S

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
ACE2 Q9BYF1 1/20 0.53
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
FDPS P14324 3/20 0.48
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
CA2 P00918 1/20 0.45

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
SCHEMBL4451639 1.00 CA1 (0.59) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL790606 1.00 CA1 (0.59) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL873924 1.00 CA1 (0.59) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL3067126 1.00 CA1 (0.59) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL8798470 1.00 CA1 (0.59) CA1ACE2FFAR1FFAR4GPR84
Methane SCHEMBL268170 0.98 CA1 (0.57) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL14748064 0.98 CA1 (0.61) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL8805427 0.98 CA1 (0.61) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL874007 0.91
Ethylene Glycol SCHEMBL9698302 0.84 CA1 (0.44) CA1ACE2FFAR1FFAR4GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399200-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS Mitsubishi Gas Chemical Company, Inc. (JP) 2024-07-17 EP disclosed
WO-2023038156-A1 (HET)ARYL SUBSTITUTED BISPHENOL COMPOUNDS AND THERMOPLASTIC RESINS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-03-16 WO disclosed
WO-2020079225-A1 POLYCYCLIC COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-04-23 WO disclosed
WO-2020080558-A1 POLYCYCLIC COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-04-23 WO disclosed
US-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia MICROBIA, INC. (US) 2008-08-14 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 EP disclosed
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
WO-2001021575-A1 ANTI-INFLAMMATORY NITRO- AND THIA- FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) 2001-03-29 WO disclosed
WO-2001021172-A1 ANTI-CANCER NITRO- AND THIA-FATTY ACIDS WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) 2001-03-29 WO disclosed
US-6187814-B1 BY TOPICALLY AN FARNESOID X-ACTIVATED RECEPTOR (FXR) ACTIVATOR SELECTED FROM FARNESAL, ALKYL FARNESYL ETHER, ALKYL FARNESOATE, AND 7-METHYL-9-(3,3-DIMETHYLOXIRANYL)-3-METHYL-2,6-NONADIENOIC ACID, ALKYL ESTER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-02-13 US disclosed
US-6184215-B1 TOPICALLY APPLYING TO SKIN A HYDROXYCHOLESTEROL TO ACTIVATE LIVER-BASED X-ACTIVATED RECEPTOR ALPHA (LXRA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-02-06 US disclosed
US-6060515-A TOPICALLY APPLYING TO MAMMALIAN SKIN OR MUCOUS MEMBRANE A BARRIER DEVELOPMENT ENHANCING AMOUNT OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPARA) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-05-09 US disclosed
US-5650430-A Radicicol derivatives, their preparation and their anti-tumor activity SANKYO COMPANY, LIMITED (JP) 1997-07-22 US disclosed
EP-0460950-B1 Radicicol derivatives, their preparation and their anti-tumour activity SANKYO CO (JP) 1997-03-05 EP disclosed
US-5597846-A ESTERS OF RADICICOL SANKYO COMPANY, LIMITED (JP) 1997-01-28 US disclosed
WO-1991018905-A1 RADICICOL DERIVATIVES, THEIR PREPARATION AND THEIR ANTI-TUMOR ACTIVITY SANKYO COMPANY LIMITED (JP) 1991-12-12 WO disclosed
EP-0460950-A1 Radicicol derivatives, their preparation and their anti-tumour activity Sankyo Company Limited (JP) 1991-12-11 EP 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 (1 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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 CA1 4809/4885ACE2 797/4885FFAR1 1737/4885

“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.