SCHEMBL3168669

SCHEMBL3168669

CCOC(=O)C(C)Oc1cccc(SCCCn2cc(C(c3ccccc3)c3ccccc3)ccc2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.60
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
RORA P35398 1/20 0.33
NR5A1 Q13285 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
SCHEMBL3159452 0.91 PTGDR2 (0.72) PTGDR2LMNATP53L3MBTL1EPHX2
SCHEMBL3166276 0.85 PTGDR2 (0.68) PTGDR2LMNATP53L3MBTL1EPHX2
SCHEMBL3168476 0.85 PTGDR2 (0.82) PTGDR2TSHRLMNATP53L3MBTL1
SCHEMBL3173348 0.83 PTGDR2 (0.60) PTGDR2
SCHEMBL3176927 0.83 PTGDR2 (0.73) PTGDR2LMNA
SCHEMBL3168885 0.82 PTGDR2 (0.73) PTGDR2ALDH1A1
SCHEMBL3164713 0.82 PTGDR2 (0.61) PTGDR2TSHRLMNATP53L3MBTL1
SCHEMBL3174351 0.82 PTGDR2 (0.58) PTGDR2
SCHEMBL3168999 0.81 PTGDR2 (0.58) PTGDR2TSHRLMNATP53L3MBTL1
SCHEMBL3168652 0.79 PTGDR2 (0.50) PTGDR2L3MBTL1ALDH1A1MEN1KMT2A

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 116/4885TSHR 1682/4885LMNA 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.