SCHEMBL555420

SCHEMBL555420

Cc1ccccc1OCc1ccccc1-c1ccc(C2CN(C(=O)O)CCC2c2cc(F)cc(F)c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 13/20 0.40
FFAR4 Q5NUL3 1/20 0.39
PTGER1 P34995 3/20 0.37
PTGER4 P35408 3/20 0.37
PTGER3 P43115 3/20 0.37
PTGER2 P43116 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PDCD1 Q15116 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
SCHEMBL555877 0.84 REN (0.36) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL556668 0.84 LIPE (0.36) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL7867234 0.80 REN (0.44) FFAR4
SCHEMBL556088 0.77 REN (0.41)
SCHEMBL10202520 0.72 REN (0.44) FFAR4PTGER1PTGER4PTGER3PTGER2
SCHEMBL10202524 0.71 HTR1A (0.44) PTGER1PTGER4PTGER3PTGER2
SCHEMBL555467 0.70 REN (0.61) CD274
SCHEMBL10202523 0.66 REN (0.49) FFAR4
SCHEMBL5158480 0.66 CHRNB2 (0.38) CD274PDCD1
SCHEMBL10202500 0.66 REN (0.56)

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 CD274 3923/4885FFAR4 2525/4885PTGER1 1214/4885

“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.