SCHEMBL12678735

SCHEMBL12678735

CCOC(=O)Cn1ccc2c(Cn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ PTGDR2 Q9Y5Y4 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CREBBP Q92793 1/20 0.38

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
SCHEMBL12678736 0.89 PTGDR2 (0.49) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL3166129 0.87 PTGDR2 (0.44) ALDH1A1ALOX5PTGDR2KMT2A
SCHEMBL28784992 0.84 ALDH1A1 (0.47) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL12678737 0.84 PTGDR2 (0.50) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL12678715 0.83 PTGDR2 (0.45) POLBL3MBTL1LMNAPTGDR2KDM4E
SCHEMBL12678726 0.83 LMNA (0.41) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL3169481 0.82 PTGDR2 (0.48) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL12678732 0.82 POLB (0.37) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL12678721 0.80 PTGDR2 (0.49) POLBL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL3169747 0.80 PTGDR2 (0.43) L3MBTL1ALDH1A1MAPTPTGDR2CYP1A2

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 5 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
CN-101636386-A Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2010-01-27 — — CN 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 POLB 4222/4885L3MBTL1 4881/4885ALDH1A1 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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