SCHEMBL137513

SCHEMBL137513

CCN(Cc1cc(C)ccc1Br)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PPARG P37231 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 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
SCHEMBL152538 0.82 HDAC1 (0.51) HPGDHDAC1HDAC6ALDH1A1MAPT
SCHEMBL138101 0.81 HPGD (0.43) HPGDTDP1ALDH1A1MAPTKMT2A
SCHEMBL16501876 0.79 TSPO (0.48) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL134740 0.78 ALDH1A1 (0.51) HPGDHDAC1HDAC6ALDH1A1MAPT
SCHEMBL12893455 0.78 PTGDR2 (0.49) ALDH1A1KMT2AMEN1LMNA
SCHEMBL138146 0.78 HPGD (0.45) HPGDTDP1HDAC1HDAC6ALDH1A1
SCHEMBL136919 0.77 HPGD (0.42) HPGDTDP1ALDH1A1MAPTKMT2A
SCHEMBL12197430 0.77 TRPM8 (0.47) HPGDALDH1A1KMT2AMEN1KDM4E
SCHEMBL1004019 0.75 HDAC1 (0.71) HPGDHDAC1HDAC6ALDH1A1MAPT
Toluene SCHEMBL27540975 0.75 HPGD (0.73) HPGDTDP1HDAC1HDAC6ALDH1A1

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 4609/4885HDAC1 3225/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HPGD 27/4885TDP1 4609/4885HDAC1 3225/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HPGD 27/4885TDP1 4609/4885HDAC1 3225/4885

“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.