SCHEMBL3950902

SCHEMBL3950902

Cc1cc2c(nc(CCCc3ccccc3)n2-c2ccc(CCc3ccccc3CCCC(=O)O)cc2)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
PTGER4 P35408 1/20 0.44
PLA2G4A P47712 4/20 0.41
PDE5A O76074 2/20 0.39
HDAC3 O15379 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
HDAC4 P56524 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL3950900 0.85 PTGER4 (0.42) RXRARXRBRXRGPTGER4PLA2G4A
SCHEMBL3950898 0.84 PTGER4 (0.46) RXRARXRBRXRGPTGER4PLA2G4A
SCHEMBL1626203 0.83 FAAH (0.48) RXRARXRBRXRGPTGER4PLA2G4A
SCHEMBL1626154 0.83 PTGER4 (0.46) RXRARXRBRXRGPTGER4PLA2G4A
SCHEMBL3950753 0.81 PTGER4 (0.44) PTGER4PLA2G4AHDAC1FAAHNTRK1
SCHEMBL3950896 0.79 PTGER4 (0.42) PTGER4HDAC1LTB4RNTRK1NTRK2
SCHEMBL1623497 0.76 PTGER4 (0.54) PTGER4NTRK1NTRK2
SCHEMBL21470064 0.74 PTGER4 (0.62) PTGER4NTRK1NTRK2
SCHEMBL30114861 0.74 PTGER4 (0.62) PTGER4NTRK1NTRK2
SCHEMBL6427478 0.73 PTGER4 (0.37) PTGER4PDE5AHDAC1

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-7479564-B2 Aryl or heteroaryl fused imidazole compounds as anti-inflammatory and analgesic agents RAQUALIA PHARMA INC. (JP) 2009-01-20 US disclosed
US-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PFIZER INC. 2007-07-05 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-20070155732-A1 Aryl or Heteroaryl Fused Imidazole Compounds as Anti-Inflammatory and Analgesic Agents PTGS1, PTGS2, PTGES RXRA 2789/4885RXRB 3328/4885RXRG 2348/4885

“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.