SCHEMBL138101

SCHEMBL138101

CCN(Cc1cc(C)ccc1Br)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
FFAR4 Q5NUL3 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL136919 0.83 HPGD (0.42) HPGDTDP1ALDH1A1MAPTFFAR4
SCHEMBL16501876 0.82 TSPO (0.48) HPGDALDH1A1MAPTKDM4ELMNA
SCHEMBL137437 0.81 PTGDR2 (0.53) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL137513 0.81 HPGD (0.54) HPGDTDP1ALDH1A1MAPTKDM4E
SCHEMBL16501844 0.81 SSTR4 (0.41) HPGDTDP1ALDH1A1MAPTFFAR4
SCHEMBL154500 0.79 PTGDR2 (0.51) PTGDR2
SCHEMBL16501885 0.79 KMT2A (0.52) HPGDTDP1ALDH1A1MAPTFFAR4
SCHEMBL134740 0.76 ALDH1A1 (0.51) HPGDALDH1A1MAPTKDM4ELMNA
SCHEMBL12893455 0.76 PTGDR2 (0.49) ALDH1A1FFAR4LMNAKMT2AMEN1
SCHEMBL137493 0.75 PTGDR2 (0.47) ALDH1A1FFAR4KMT2AMEN1RAB9A

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 HPGD 27/4885TDP1 4609/4885ALDH1A1 2005/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HPGD 27/4885TDP1 4609/4885ALDH1A1 2005/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HPGD 27/4885TDP1 4609/4885ALDH1A1 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.