SCHEMBL12678724

SCHEMBL12678724

CC(C)(C)OC(=O)CN1CCc2c(C(=O)NCCN(CCC(c3ccccc3)c3ccccc3)C(=O)c3ccccc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 14/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ GLP1R P43220 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL12678723 0.90 CASR (0.36) CASRPTGDR2GLP1RGCGREPHX2
SCHEMBL3166382 0.89 PTGDR2 (0.39) CASRPTGDR2GLP1RGCGREPHX2
SCHEMBL3169132 0.82 EPHX2 (0.40) CASRPTGDR2GLP1RGCGREPHX2
SCHEMBL4425058 0.82 CASR (0.37) CASRPTGDR2GLP1RGCGREPHX2
SCHEMBL12678725 0.75 PTGDR2 (0.40) PTGDR2EPHX2ALDH1A1
SCHEMBL3169588 0.73 EPHX2 (0.41) CASRPTGDR2GLP1RGCGREPHX2
SCHEMBL4430019 0.71 GPR52 (0.38) EPHX2ALDH1A1
SCHEMBL12678728 0.69 POLB (0.45) CASRPTGDR2GLP1RGCGREPHX2
SCHEMBL3164868 0.68 PTGDR2 (0.40) CASRPTGDR2GLP1RGCGREPHX2
SCHEMBL3159511 0.68 EPHX2 (0.51) CASRPTGDR2GLP1RGCGREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 — — US disclosed
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 — — US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 — — US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 — — 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 CASR 1220/4885PTGDR2 116/4885GLP1R 1377/4885

“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.

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