SCHEMBL3165656

SCHEMBL3165656

O=C(O)Cn1ccc2c(-c3nc(CN(CCC(c4ccccc4)c4ccccc4)C(=O)c4ccccc4)co3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ POLB P06746 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ RECQL P46063 4/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ GLP1R P43220 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ PPARG P37231 3/20 0.34
▸ PPARA Q07869 3/20 0.34
▸ PPARD Q03181 2/20 0.33
▸ LMNA P02545 4/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PKM P14618 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ BLM P54132 2/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL12678733 0.90 POLB (0.38) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL3173411 0.88 ALDH1A1 (0.37) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL4418313 0.85 ALDH1A1 (0.35) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL3166132 0.79 ALDH1A1 (0.38) ALDH1A1POLBMAPTRECQLL3MBTL1
SCHEMBL12678519 0.74 PTGDR2 (0.51) ALDH1A1PTGDR2NR1H2NR1H3KMT2A
SCHEMBL3165132 0.73 PTGDR2 (0.37) ALDH1A1PTGDR2KMT2APPARGPPARA
SCHEMBL3169353 0.73 NR1H2 (0.40) ALDH1A1MAPTPTGDR2NR1H2NR1H3
SCHEMBL3169345 0.73 NR1H2 (0.40) ALDH1A1MAPTPTGDR2NR1H2NR1H3
SCHEMBL3164868 0.72 PTGDR2 (0.40) ALDH1A1MAPTPTGDR2NR1H2NR1H3
SCHEMBL3165002 0.68 PDCD1 (0.37) ALDH1A1MAPTKMT2AMEN1CASR

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 7 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
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
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 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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