SCHEMBL3173411

SCHEMBL3173411

O=C(c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)Cc1coc(-c2cccc3c2ccn3C(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ POLB P06746 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ RECQL P46063 4/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ LMNA P02545 4/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PKM P14618 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ BLM P54132 2/20 0.33
▸ GLP1R P43220 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL3165656 0.88 ALDH1A1 (0.36) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL4418313 0.87 ALDH1A1 (0.35) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL12678733 0.83 POLB (0.38) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL3166132 0.81 ALDH1A1 (0.38) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL3165002 0.80 PDCD1 (0.37) ALDH1A1MAPTMEN1KMT2ACASR
SCHEMBL3169671 0.72 PTGDR2 (0.38) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL3169663 0.72 PTGDR2 (0.38) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL3166424 0.71 PTGDR2 (0.36) PTGDR2
SCHEMBL4418310 0.68 PTPN1 (0.32) ALDH1A1CYP3A4
SCHEMBL3164729 0.65 PTGDR2 (0.49) ALDH1A1POLBMAPTRECQLL3MBTL1

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 ALDH1A1 3727/4885POLB 4222/4885MAPT 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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