SCHEMBL3166132

SCHEMBL3166132

O=C(c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)Cc1coc(-c2cccc3[nH]ccc23)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ POLB P06746 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ RECQL P46063 4/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ HPGDS O60760 3/20 0.35
▸ LMNA P02545 4/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.34
▸ PKM P14618 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ BLM P54132 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL3173411 0.81 ALDH1A1 (0.37) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL3165656 0.79 ALDH1A1 (0.36) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL4418313 0.78 ALDH1A1 (0.35) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL12678733 0.75 POLB (0.38) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL3159411 0.71 MC4R (0.44) ALDH1A1MAPTRECQLPTGDR2LMNA
SCHEMBL3159401 0.71 MC4R (0.44) ALDH1A1MAPTRECQLPTGDR2LMNA
SCHEMBL3168994 0.70 HDAC1 (0.47) ALDH1A1POLBMAPTL3MBTL1PTGDR2
SCHEMBL3159313 0.68 PTGDR2 (0.34) PTGDR2HPGDSPIK3R1PIK3CAGAA
SCHEMBL3159433 0.65 CDK4 (0.59) ALDH1A1PTGDR2MEN1KMT2AMC4R
SCHEMBL3173586 0.62 MEN1 (0.49) ALDH1A1POLBMAPTL3MBTL1MEN1

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
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
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 — — EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 — — WO 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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