SCHEMBL3174447

SCHEMBL3174447

CCC(C(=O)O)n1ccc2c(OCCCn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 9/20 0.51
▸ PPARG P37231 3/20 0.46
▸ MCL1 Q07820 7/20 0.40
▸ BAD Q92934 2/20 0.39
▸ PPARA Q07869 3/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ BCL2L1 Q07817 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
SCHEMBL3168073 0.83 PTGDR2 (0.52) PTGDR2PPARGMCL1BADPPARA
SCHEMBL4416672 0.82 PTGDR2 (0.47) PTGDR2PPARGMCL1BADPPARA
SCHEMBL12678715 0.82 PTGDR2 (0.45) PTGDR2PPARGMCL1BADPPARA
SCHEMBL3169645 0.79 PTGDR2 (0.55) PTGDR2MCL1
SCHEMBL3168468 0.78 PTGDR2 (0.57) PTGDR2PPARGMCL1PPARA
SCHEMBL4414924 0.78 PTGDR2 (0.52) PTGDR2MCL1BAD
SCHEMBL12678737 0.77 PTGDR2 (0.50) PTGDR2PPARGPPARA
SCHEMBL3159505 0.71 PTGDR2 (0.45) PTGDR2
SCHEMBL3159691 0.70 PTGDR2 (0.90) PTGDR2MCL1
SCHEMBL3176752 0.69 PTGDR2 (0.70) PTGDR2PPARGPPARA

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 2 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-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 PTGDR2 116/4885PPARG 1069/4885MCL1 3406/4885

“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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