SCHEMBL3175180

SCHEMBL3175180

O=C(NCCN(CCC(c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1cn(C(=O)O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.46
EPHX2 P34913 4/20 0.43
GLP1R P43220 1/20 0.41
GCGR P47871 1/20 0.41
EP300 Q09472 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
CASR P41180 1/20 0.37
LMNA P02545 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL3174377 0.86 KMT2A (0.50) EPHX2GLP1RGCGRPTGDR2KDM4E
SCHEMBL12678731 0.81 POLB (0.56) CREBBPNPSR1KDM4EALDH1A1KMT2A
SCHEMBL3164868 0.79 PTGDR2 (0.40) EPHX2GLP1RGCGRPTGDR2NPSR1
SCHEMBL3164729 0.78 PTGDR2 (0.49) PTGDR2KDM4EALDH1A1MAPTCASR
SCHEMBL3173586 0.78 MEN1 (0.49) EPHX2EP300ALDH1A1KMT2AMAPT
SCHEMBL4413853 0.77 CREBBP (0.49) CREBBPEPHX2EP300KDM4EALDH1A1
SCHEMBL3159511 0.77 EPHX2 (0.51) EPHX2GLP1RGCGRPTGDR2ALDH1A1
SCHEMBL3169132 0.76 EPHX2 (0.40) EPHX2GLP1RGCGRPTGDR2NPSR1
SCHEMBL12678728 0.74 POLB (0.45) EPHX2GLP1RGCGRPTGDR2NPSR1
SCHEMBL3168994 0.74 HDAC1 (0.47) EPHX2GLP1RGCGREP300PTGDR2

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 CREBBP 956/4885EPHX2 2100/4885GLP1R 1377/4885

“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.