SCHEMBL3397012

SCHEMBL3397012

CCN(Cc1cc(-n2cccn2)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.40
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3396038 0.82 PTGDR2 (0.42) PTGDR2KDM4EALDH1A1
SCHEMBL136486 0.79 PTGDR2 (0.46) PTGDR2KDM4EALDH1A1
SCHEMBL14629997 0.79 KDM4E (0.43) PTGDR2KDM4EALDH1A1KMT2AMEN1
SCHEMBL14630142 0.78 PTGDR2 (0.48) PTGDR2KDM4EALDH1A1KMT2AMEN1
SCHEMBL152613 0.76 PTGDR2 (0.52) PTGDR2
SCHEMBL13310594 0.71 NOTUM (0.40) KDM4EALDH1A1KMT2AMEN1
SCHEMBL26920637 0.71 NOTUM (0.46) KDM4EALDH1A1KMT2AMEN1
SCHEMBL13428213 0.71 PTGDR2 (0.52) PTGDR2
SCHEMBL16501870 0.70 MEN1 (0.49) PTGDR2KDM4EALDH1A1KMT2AMEN1
SCHEMBL15475864 0.68 HCRTR1 (0.38) KDM4EALDH1A1

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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885KDM4E 4767/4885ALDH1A1 2005/4885

“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.