SCHEMBL3174289

SCHEMBL3174289

CCC(Oc1cccc(CCCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1)C(=O)O

nearest known ligand 0.94

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.94
PTGDR Q13258 1/20 0.44
PPARA Q07869 6/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 4/20 0.41
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL3168930 0.97 PTGDR2 (1.00) PTGDR2PTGDRPPARAPPARGPPARD
SCHEMBL3168564 0.89 PTGDR2 (0.94) PTGDR2PTGDRPPARAPPARGPPARD
SCHEMBL27866949 0.86 PTGDR2 (0.70) PTGDR2PTGDRPPARAPPARGHDAC3
SCHEMBL3165304 0.85 PTGDR2 (1.00) PTGDR2PTGDRPPARAPPARGPPARD
SCHEMBL3174445 0.85 PTGDR2 (1.00) PTGDR2PTGDRPPARAPPARGPPARD
SCHEMBL3168945 0.85 PTGDR2 (1.00) PTGDR2PTGDRPPARAPPARGPPARD
SCHEMBL27866948 0.85 PTGDR2 (0.72) PTGDR2PTGDRPPARAPPARGHDAC3
SCHEMBL3180595 0.83 PTGDR2 (0.94) PTGDR2PTGDRPPARAPPARG
SCHEMBL4275255 0.83 PTGDR2 (0.75) PTGDR2PTGDRHDAC3HDAC4HDAC1
SCHEMBL12678710 0.83 PTGDR2 (0.75) PTGDR2PTGDRPPARAPPARG

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 2 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-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 116/4885PTGDR 189/4885PPARA 1122/4885

“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.