SCHEMBL4604644

SCHEMBL4604644

O=C(O)C1OC1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.47
KEAP1 Q14145 1/20 0.44
FDFT1 P37268 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A3 Q01959 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL6817041 1.00 FASN (0.47) FASNKEAP1FDFT1MAPTKDM4E
SCHEMBL6069576 1.00 FASN (0.47) FASNKEAP1FDFT1MAPTKDM4E
SCHEMBL6069567 1.00 FASN (0.47) FASNKEAP1FDFT1MAPTKDM4E
SCHEMBL5194706 0.81 TLR9 (0.46) FASNKEAP1SLC6A3SLC6A2SLC6A4
SCHEMBL5194716 0.81 TLR9 (0.46) FASNKEAP1SLC6A3SLC6A2SLC6A4
SCHEMBL3684121 0.81 TLR9 (0.46) FASNKEAP1SLC6A3SLC6A2SLC6A4
SCHEMBL5194710 0.81 TLR9 (0.46) FASNKEAP1SLC6A3SLC6A2SLC6A4
SCHEMBL28653386 0.80 F2RL1 (0.47) KDM4ESMN1; SMN2ALDH1A1FFAR1
SCHEMBL6069900 0.79 TSHR (0.57) MAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL6069915 0.79 TSHR (0.57) MAPTSMN1; SMN2ALDH1A1TDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196590-B1 PROCESS OF SEPARATION OF EPOXIDE-ENANTIOMER MIXTURES BY EPOXIDE-HYDROLASE PRODUCING MICROORGANISMS BASF SE (DE) 2008-07-09 EP disclosed
US-7056947-B2 For inhibiting (cysteine) proteases/caspases; for treatment of viral infections, stroke, neurodegenerative disease, and inflammatory diseases GEORGIA TECH RESEARCH CORP. (US) 2006-06-06 US disclosed
US-20040048327-A1 Aza-peptide epoxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-11 US disclosed
WO-2004005270-A1 AZA-PEPTIDE EPOXIDES GEORGIA TECH RESEARCH CORPORATION (US) 2004-01-15 WO disclosed
EP-1196590-A1 EPOXIDE HYDROLASES FROM STREPTOMYCES BASF AKTIENGESELLSCHAFT (DE) 2002-04-17 EP disclosed
WO-2001007623-A1 EPOXIDE HYDROLASES FROM STREPTOMYCES BASF AKTIENGESELLSCHAFT (DE) 2001-02-01 WO 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-20040048327-A1 Aza-peptide epoxides ANPEP, ENPEP, TMPRSS15 FASN 2663/4885KEAP1 631/4885FDFT1 2746/4885

“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.