SCHEMBL4382731

SCHEMBL4382731

CCCCCc1cc(O)cc(Oc2cc(O)cc(CCCCC)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.77
CYP3A4 P08684 1/20 0.71
CNR1 P21554 10/20 0.57
CNR2 P34972 8/20 0.57

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
SCHEMBL10654346 0.87 PTGS2 (1.00) PTGS2CYP3A4CNR1CNR2
SCHEMBL15140969 0.86 PTGS2 (0.97) PTGS2CYP3A4CNR1CNR2
SCHEMBL21925060 0.86 PTGS2 (0.97) PTGS2CYP3A4CNR1CNR2
SCHEMBL17509809 0.86 PTGS2 (0.97) PTGS2CYP3A4CNR1CNR2
SCHEMBL17509775 0.86 PTGS2 (0.97) PTGS2CYP3A4CNR1CNR2
SCHEMBL23462775 0.86 PTGS2 (0.97) PTGS2CYP3A4CNR1CNR2
SCHEMBL16932836 0.86 PTGS2 (0.97) PTGS2CYP3A4CNR1CNR2
SCHEMBL10652400 0.86 PTGS2 (0.97) PTGS2CYP3A4CNR1CNR2
SCHEMBL17509787 0.86 PTGS2 (0.97) PTGS2CYP3A4CNR1CNR2
SCHEMBL28946091 0.86 PTGS2 (0.73) PTGS2CYP3A4CNR1CNR2

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
EP-1390332-B1 UNCATALYSED ADDITION REACTIONS JOHNSON MATTHEY PLC (GB) 2009-01-07 EP disclosed
US-6867335-B2 Uncatalysed addition reactions JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2005-03-15 US disclosed
US-20040210076-A1 Uncatalysed addition reactions JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2004-10-21 US disclosed
EP-1390332-A1 UNCATALYSED ADDITION REACTIONS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2004-02-25 EP disclosed
WO-2002096846-A1 UNCATALYSED ADDITION REACTIONS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2002-12-05 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-20040210076-A1 Uncatalysed addition reactions SQLE, XDH, DCXR PTGS2 751/4885CYP3A4 296/4885CNR1 2578/4885

“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.