SCHEMBL13348388

SCHEMBL13348388

O=CCCc1ccc(OCc2cccc3c2N(Cc2ccccc2)CC3)cc1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.49
PTGER2 P43116 12/20 0.49
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LTA4H P09960 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
SCHEMBL13348224 0.94 PTGER4 (0.46) PTGER4PTGER2CA12CA9MAOA
SCHEMBL13348160 0.92 PTGER4 (0.48) PTGER4PTGER2MAOAMAOBLTA4H
SCHEMBL13348167 0.90 PTGER4 (0.40) PTGER4PTGER2MAOAMAOB
SCHEMBL13312087 0.87 PTGER4 (0.54) PTGER4PTGER2
SCHEMBL13348108 0.87 AOC3 (0.38) PTGER4PTGER2CA12CA9MAOB
SCHEMBL13348107 0.86 PTGER4 (0.44) PTGER4PTGER2LTA4H
SCHEMBL13348239 0.86 PTGER4 (0.37) PTGER4PTGER2MAOAMAOBLTA4H
SCHEMBL13348393 0.85 CYP2D6 (0.37) PTGER4PTGER2MAOAMAOB
SCHEMBL13348225 0.83 LTA4H (0.35) PTGER4PTGER2CA12CA9MAOB
SCHEMBL13312685 0.82 PTGER4 (0.49) PTGER4PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152165-A1 CARBOXYLIC ACID DERIVATIVES ASTELLAS PHARMA INC. (JP) 2010-06-17 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-20100152165-A1 CARBOXYLIC ACID DERIVATIVES GPR119, GPR65, HCAR1 PTGER4 1432/4885PTGER2 3346/4885CA12 1061/4885

“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.