SCHEMBL1758098

SCHEMBL1758098

Cc1c(Cc2n[nH]c(=O)cc2Cc2ccccc2)c2ccccc2n1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.54
KDM4E B2RXH2 1/20 0.46
AKR1A1 P14550 1/20 0.46
AKR1B1 P15121 1/20 0.46
PTGIR P43119 1/20 0.43
PTGDR Q13258 1/20 0.43

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
SCHEMBL1757655 0.91 PTGDR2 (0.44) PTGDR2KDM4E
SCHEMBL1757563 0.91 PTGDR2 (0.64) PTGDR2
SCHEMBL1757514 0.79 PTGDR2 (0.62) PTGDR2KDM4EAKR1A1AKR1B1PTGIR
SCHEMBL1783309 0.72 PTGDR2 (0.71) PTGDR2PTGIRPTGDR
SCHEMBL4761775 0.72 PTGDR2 (0.79) PTGDR2PTGIRPTGDR
Water SCHEMBL11291624 0.71 PTGDR2 (0.73) PTGDR2KDM4EAKR1A1AKR1B1
SCHEMBL1757517 0.70 PTGDR2 (0.59) PTGDR2
SCHEMBL1758136 0.70 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL4559216 0.70 ALDH1A1 (0.62) PTGDR2KDM4EAKR1A1AKR1B1
SCHEMBL1757106 0.69 PTGDR2 (1.00) PTGDR2

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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 PTGDR2 13/4885KDM4E 4693/4885AKR1A1 619/4885

“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.