SCHEMBL854851

SCHEMBL854851

CCCCCCCCc1ccc(NCc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.61
FFAR4 Q5NUL3 2/20 0.61
CACNA1B Q00975 5/20 0.57
PLK1 P53350 1/20 0.52
GNA15 P30679 1/20 0.50
PTGER3 P43115 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LTA4H P09960 2/20 0.49

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
SCHEMBL854760 0.88 PLK1 (0.59) FFAR1FFAR4PLK1
SCHEMBL11835323 0.88 PLK1 (0.59) FFAR1FFAR4PLK1
SCHEMBL3426470 0.87 PLK1 (0.61) FFAR1PLK1
SCHEMBL12721515 0.87 LTA4H (0.62) FFAR1LTA4H
SCHEMBL16558294 0.87 LTA4H (0.62) FFAR1LTA4H
SCHEMBL4546800 0.87 LTA4H (0.62) FFAR1LTA4H
SCHEMBL15312061 0.87 LTA4H (0.62) FFAR1LTA4H
SCHEMBL12056748 0.87 LTA4H (0.62) FFAR1LTA4H
SCHEMBL855509 0.85 MAPT (0.65) LTA4H
SCHEMBL2453789 0.85 LTA4H (0.61) FFAR1LTA4H

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-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 EP 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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 FFAR1 138/4885FFAR4 216/4885CACNA1B 4309/4885

“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.