SCHEMBL6077944

SCHEMBL6077944

O=CC1(C2=COC(Cc3ccccc3)O2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
GRM2 Q14416 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
CTRB1 P17538 1/20 0.30

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
SCHEMBL6076968 0.94 DDB1 (0.33) F2PRSS1DDB1CRBNGRM2
SCHEMBL6078250 0.76 OPRM1 (0.36) F2PRSS1
SCHEMBL1014603 0.75 LTB4R (0.37) F2PRSS1DDB1CRBNGRM2
SCHEMBL5416780 0.74 LTB4R (0.36) F2PRSS1DDB1CRBNTSHR
SCHEMBL6076342 0.72 OPRM1 (0.38) DDB1CRBNHTT
SCHEMBL490481 0.70 CTRB1 (0.36) F2PRSS1DDB1CRBNGRM2
SCHEMBL6863242 0.68 ADH1B (0.38) F2PRSS1DDB1CRBNGRM2
SCHEMBL2396894 0.68
SCHEMBL7956678 0.65 SLC6A2 (0.38)
SCHEMBL5858339 0.65 CTRB1 (0.38) GRM2CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112584-B2 Nonsteroidal antiinflammatory agents SCHERING AG (DE) 2006-09-26 US disclosed
EP-1572671-A1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2005-09-14 EP disclosed
US-20040209875-A1 Nonsteroidal antiinflammatory agents SCHERIN AKTIENGESELLSCHAFT (DE) 2004-10-21 US disclosed
WO-2004058733-A1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 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-20040209875-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGER1, PTGES F2 287/4885PRSS1 207/4885DDB1 2071/4885

“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.