SCHEMBL3168476

SCHEMBL3168476

CCOC(=O)C(C)Oc1cccc(CCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.82
PTGDR Q13258 1/20 0.45
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.38
NR5A1 Q13285 2/20 0.38
MAPT P10636 2/20 0.38
RORA P35398 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL3168927 0.92 PTGDR2 (0.84) PTGDR2PTGDRLMNATP53MAPT
SCHEMBL3168945 0.91 PTGDR2 (1.00) PTGDR2PTGDRMAPTPPARGPPARA
SCHEMBL3174445 0.91 PTGDR2 (1.00) PTGDR2PTGDRMAPTPPARGPPARA
SCHEMBL3165304 0.91 PTGDR2 (1.00) PTGDR2PTGDRMAPTPPARGPPARA
SCHEMBL3168564 0.88 PTGDR2 (0.94) PTGDR2PTGDRMAPTPPARGPPARA
SCHEMBL12678719 0.86 PTGDR2 (0.79) PTGDR2PTGDRPPARGPPARA
SCHEMBL3164713 0.86 PTGDR2 (0.61) PTGDR2LMNAL3MBTL1TP53TSHR
SCHEMBL3168930 0.85 PTGDR2 (1.00) PTGDR2PTGDRPPARGPPARA
SCHEMBL3168669 0.85 PTGDR2 (0.60) PTGDR2LMNAL3MBTL1TP53TSHR
SCHEMBL3174803 0.85 PTGDR2 (0.80) PTGDR2PTGDRL3MBTL1PPARGPPARA

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 189/4885LMNA 4586/4885

“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.