SCHEMBL3169481

SCHEMBL3169481

CCOC(=O)Cn1cc(C(c2ccccc2)c2ccccc2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.48
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ POLB P06746 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL12678735 0.82 POLB (0.44) PTGDR2ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL12678721 0.82 PTGDR2 (0.49) PTGDR2ALDH1A1POLBL3MBTL1MAPT
SCHEMBL12678727 0.82 ALDH1A1 (0.57) ALDH1A1POLBL3MBTL1KDM4EMAPT
SCHEMBL27771722 0.82 PTGDR2 (0.55) PTGDR2ALDH1A1POLBKDM4EMAPT
SCHEMBL27771717 0.80 TSHR (0.45) PTGDR2HTTALDH1A1KDM4E
SCHEMBL28784992 0.80 ALDH1A1 (0.47) PTGDR2ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL12678737 0.80 PTGDR2 (0.50) PTGDR2ALDH1A1POLBL3MBTL1KDM4E
SCHEMBL12678736 0.80 PTGDR2 (0.49) PTGDR2ALDH1A1POLBL3MBTL1MAPT
SCHEMBL12678715 0.79 PTGDR2 (0.45) PTGDR2POLBL3MBTL1KDM4ELMNA
SCHEMBL12678726 0.79 LMNA (0.41) PTGDR2ALDH1A1POLBL3MBTL1KDM4E

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 116/4885HTT 693/4885ALDH1A1 3727/4885

“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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