SCHEMBL6524316

SCHEMBL6524316

CCCCCCC(C)=CC(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.47
DGKA P23743 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
TSHR P16473 5/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
MEN1 O00255 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL7709682 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL28893578 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL2838004 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL3360702 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL15482811 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL13129941 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL6524315 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL7709678 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL15482689 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1
SCHEMBL13468257 1.00 FAAH (0.47) FAAHDGKANPSR1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065349-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems BUCHWALD STEPHEN L (US) 2005-03-24 US disclosed
US-6787655-B2 TRANSITION-METAL-CATALYZED ASYMMETRIC 1,4-ADDITION OF A NUCLEOPHILE, E.G., HYDRIDE, TO CYCLIC AND ACYCLIC ENOATES AND ENONES AND THE CATALYST CONTAINING A COPPER AND AN ASYMMETRIC BIDENTATE BISPHOSPHINE LIGAND MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-09-07 US disclosed
US-20030125563-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-03 US disclosed
US-6465664-B1 CATALYZED WITH A TRANSITION METAL CATALYST COMPOSED OF A COPPER COMPOUND AND AN ASYMMETRIC LIGAND, SUCH AS A PHOSPHINE, A NUCLEOPHILE AND A BASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-10-15 US disclosed
WO-2001019761-A2 ASYMMETRIC 1,4-REDUCTIONS OF AND 1,4-ADDITIONS TO ENOATES AND RELATED SYSTEMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-03-22 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 (2 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-20050065349-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems APEX1, AP2A1, ENPP1 FAAH 3094/4885DGKA 3325/4885NPSR1 2910/4885
US-20030125563-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems APEX1, AP2A1, ENPP1 FAAH 3094/4885DGKA 3325/4885NPSR1 2910/4885

“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.