SCHEMBL10083649

SCHEMBL10083649

O=C1OC(CCc2ccccc2)C1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 1.00
CTRB1 P17538 1/20 0.68
PLA2G6 O60733 2/20 0.57
PLA2G4A P47712 1/20 0.57
F2 P00734 2/20 0.49
PRSS1 P07477 2/20 0.49
LYPLA1 O75608 1/20 0.39
LYPLA2 O95372 1/20 0.39
ABHD16A O95870 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP19A1 P11511 1/20 0.38
TLR9 Q9NR96 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KEAP1 Q14145 1/20 0.37

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
SCHEMBL10073526 1.00 FASN (1.00) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL16551923 0.91 FASN (0.83) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL16551963 0.91 FASN (0.83) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL15012876 0.89 FASN (0.81) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL15012874 0.89 FASN (0.81) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL28541028 0.89 FASN (0.79) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL17973346 0.85 FASN (0.73) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL31138044 0.85 FASN (0.73) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL16201812 0.82 FASN (0.69) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL16551934 0.81 FASN (0.68) FASNCTRB1PLA2G6PLA2G4ALYPLA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124794-B2 Method for the asymmetric synthesis of beta-lactone compounds SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-28 US disclosed
US-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS THE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-07-08 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 (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-20100173982-A1 NOVEL METHOD FOR THE ASYMMETRIC SYNTHESIS OF BETA-LACTONE COMPOUNDS FASN, COASY, FADS1 FASN 1/4885CTRB1 1071/4885PLA2G6 450/4885

“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.