SCHEMBL136777

SCHEMBL136777

CNCc1cc(C)ccc1-c1cc(CC(=O)OC)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.44
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
EPHX2 P34913 1/20 0.43
GAA P10253 2/20 0.42
CETP P11597 1/20 0.41
TBXA2R P21731 2/20 0.41
PTGDR Q13258 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK8 P45983 1/20 0.39
GFER P55789 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
SCHEMBL134609 0.88 PTGDR2 (0.47) HTR7ABL1RIN1PTGDR2JAK2
SCHEMBL137406 0.88 ABL1 (0.48) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL136997 0.87 ABL1 (0.47) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL137518 0.87 ABL1 (0.50) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL135788 0.86 PTGDR2 (0.50) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL137041 0.86 PDK2 (0.40) ABL1RIN1L3MBTL1GAATLR7
SCHEMBL136927 0.85 ABL1 (0.42) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL136913 0.85 PTGDR2 (0.45) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL136785 0.85 PTGDR2 (0.47) ABL1RIN1PTGDR2JAK2JAK3
SCHEMBL134660 0.85 PTGDR2 (0.54) ABL1RIN1PTGDR2JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 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 (3 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HTR7 259/4885ABL1 3888/4885RIN1 4058/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HTR7 259/4885ABL1 3888/4885RIN1 4058/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HTR7 259/4885ABL1 3888/4885RIN1 4058/4885

“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.