SCHEMBL3165999

SCHEMBL3165999

CC(C)(C)OC(=O)n1ccc2c(/C=C/Cn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.40
▸ PTGDR2 Q9Y5Y4 8/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ MARK3 P27448 1/20 0.31
▸ MAP4K2 Q12851 1/20 0.31
▸ CAMK2B Q13554 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ IDH1 O75874 2/20 0.31

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
SCHEMBL3166010 1.00 ACHE (0.40) ACHEPTGDR2L3MBTL1PDE10AMEN1
SCHEMBL3172284 0.82 PTGDR2 (0.42) PTGDR2L3MBTL1MEN1KMT2A
SCHEMBL3172293 0.82 PTGDR2 (0.42) PTGDR2L3MBTL1MEN1KMT2A
SCHEMBL3165886 0.76 L3MBTL1 (0.41) ACHEL3MBTL1MEN1KMT2ABRD4
SCHEMBL3165880 0.76 L3MBTL1 (0.41) ACHEL3MBTL1MEN1KMT2ABRD4
SCHEMBL3175970 0.75 ACHE (0.41) ACHEL3MBTL1MEN1KMT2ABRD4
SCHEMBL3175956 0.75 ACHE (0.41) ACHEL3MBTL1MEN1KMT2ABRD4
SCHEMBL26300944 0.74 L3MBTL1 (0.43) ACHEL3MBTL1MEN1KMT2ABRD4
SCHEMBL12678727 0.73 ALDH1A1 (0.57) L3MBTL1MEN1KMT2A
SCHEMBL3165308 0.72 PTGDR2 (0.38) PTGDR2MEN1KMT2ABRD4

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 ACHE 4442/4885PTGDR2 116/4885L3MBTL1 4881/4885

“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.

Send feedback