SCHEMBL3174487

SCHEMBL3174487

O=C(NCCn1cc(C(c2ccccc2)c2ccccc2)ccc1=O)c1cccc2c1CCN2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.42
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
EPHX2 P34913 1/20 0.37
BRD4 O60885 1/20 0.36
CRBN Q96SW2 2/20 0.36
MAPT P10636 1/20 0.35
KDM5B Q9UGL1 1/20 0.33
CREBBP Q92793 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
SCHEMBL3174396 0.80 PTGDR2 (0.41) PTGDR2EPHX2MAPT
SCHEMBL3165181 0.79 PTGDR2 (0.42) PTGDR2ALDH1A1EPHX2MAPT
SCHEMBL3166094 0.78 HDAC1 (0.47) PTGDR2KDM4EALDH1A1EPHX2MAPT
SCHEMBL3164878 0.76 PTGDR2 (0.53) PTGDR2KDM4EEPHX2MAPT
SCHEMBL3174779 0.75 PTGDR2 (0.39) PTGDR2KDM4ELMNAEPHX2MAPT
SCHEMBL4268717 0.75 PARP1 (0.37) BRD4MAPT
SCHEMBL12678729 0.74 EPHX2 (0.39) PTGDR2ALDH1A1EPHX2CRBN
SCHEMBL12678725 0.74 PTGDR2 (0.40) PTGDR2ALDH1A1EPHX2CRBN
SCHEMBL3165167 0.74 PTGDR2 (0.44) PTGDR2ALDH1A1LMNAEPHX2MAPT
SCHEMBL27849999 0.73 PTGDR2 (0.38) PTGDR2EPHX2CRBNMAPT

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 PTGDR2 116/4885KDM4E 4334/4885ALDH1A1 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.