SCHEMBL2286016

SCHEMBL2286016

COc1ccc(CC(=O)O)cc1Oc1ccc(NC(=O)C(C)(C)C)cc1COc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.70
PTGDR2 Q9Y5Y4 6/20 0.47
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
TSHR P16473 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
FABP4 P15090 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL2277882 0.90 CYP3A4 (0.58) CYP3A4PTGDR2TNFNOD2NOD1
SCHEMBL13521854 0.83 CYP3A4 (0.74) CYP3A4PTGDR2TSHRL3MBTL1ALDH1A1
Am-461 SCHEMBL29567409 0.83 CYP3A4 (1.00) CYP3A4PTGDR2TSHRL3MBTL1ALDH1A1
Am-461 SCHEMBL349848 0.83 CYP3A4 (1.00) CYP3A4PTGDR2TSHRL3MBTL1ALDH1A1
SCHEMBL348737 0.82 CYP3A4 (0.72) CYP3A4PTGDR2TSHRL3MBTL1ALDH1A1
Am-461 SCHEMBL14715972 0.82 CYP3A4 (0.98) CYP3A4PTGDR2TSHRL3MBTL1ALDH1A1
Am-461 SCHEMBL14715969 0.82 CYP3A4 (0.98) CYP3A4PTGDR2TSHRL3MBTL1ALDH1A1
SCHEMBL349853 0.81 CYP3A4 (0.70) CYP3A4PTGDR2TSHRL3MBTL1ALDH1A1
SCHEMBL349956 0.81 CYP3A4 (0.79) CYP3A4PTGDR2TSHRL3MBTL1ALDH1A1
SCHEMBL1008947 0.80 CYP3A4 (0.69) CYP3A4PTGDR2BCHEACHE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US claimed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO claimed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885PTGDR2 2/4885TNF 3287/4885

“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.