SCHEMBL3169747

SCHEMBL3169747

O=C(O)n1ccc2c(Cn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 12/20 0.43
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL3176967 0.87 PTGDR2 (0.51) PTGDR2TP53MAPTHTR6
SCHEMBL3166129 0.86 PTGDR2 (0.44) PTGDR2TP53ALDH1A1KMT2A
SCHEMBL4415546 0.82 PTGDR2 (0.42) PTGDR2TP53MAPTMEN1APAF1
SCHEMBL12678735 0.80 POLB (0.44) PTGDR2MAPTMEN1ALDH1A1CYP1A2
SCHEMBL3166424 0.79 PTGDR2 (0.36) PTGDR2
SCHEMBL3169190 0.77 PTGDR2 (0.51) PTGDR2TP53MAPT
SCHEMBL3175912 0.74 DAO (0.45) PTGDR2MAPTMEN1CYP1A2GAA
SCHEMBL3164798 0.74 PTGDR2 (0.52) PTGDR2ALDH1A1KMT2A
SCHEMBL4419630 0.71 PTGDR2 (0.51) PTGDR2TP53MAPTHTR6ALDH1A1
SCHEMBL27771720 0.70 PTGDR2 (0.47) PTGDR2HTR6

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 3 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
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 — — EP 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 116/4885TP53 4798/4885MAPT 2720/4885

“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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