SCHEMBL2277882

SCHEMBL2277882

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)C(C)(C)C)cc2COc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
TSHR P16473 7/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL2286016 0.90 CYP3A4 (0.70) CYP3A4TSHRL3MBTL1TNFNOD2
SCHEMBL13521964 0.86 CYP3A4 (0.61) CYP3A4L3MBTL1PTGDR2GAALMNA
SCHEMBL349965 0.83 CYP3A4 (0.80) CYP3A4L3MBTL1PTGDR2GAALMNA
SCHEMBL2278005 0.83 CYP1A2 (0.43) CYP3A4LMNAALDH1A1KMT2A
SCHEMBL350490 0.82 CYP3A4 (0.64) CYP3A4L3MBTL1PTGDR2GAALMNA
SCHEMBL1943271 0.82 CYP3A4 (0.56) CYP3A4L3MBTL1PTGDR2GAALMNA
SCHEMBL347667 0.80 CYP3A4 (0.62) CYP3A4L3MBTL1PTGDR2GAALMNA
SCHEMBL2283432 0.80 KMT2A (0.48) L3MBTL1GAALMNAALDH1A1MAPT
SCHEMBL348133 0.79 CYP3A4 (0.60) CYP3A4L3MBTL1PTGDR2LMNAMAPT
SCHEMBL1943646 0.78 CYP3A4 (0.53) CYP3A4TSHRL3MBTL1PTGDR2ALDH1A1

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 5 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 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 1367/4885TSHR 555/4885L3MBTL1 4395/4885

“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.