SCHEMBL170431

SCHEMBL170431

NC=CCc1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.55
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CYP2A6 P11509 1/20 0.40
HTR7 P34969 1/20 0.38
FOLH1 Q04609 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KCNA5 P22460 2/20 0.37
KCNH2 Q12809 2/20 0.37
ADRA2C P18825 1/20 0.36
MAPK1 P28482 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
SCHEMBL5656926 0.87 DPP4 (0.43) DPP4ALDH1A1PTGER4PTGER3PTGER2
SCHEMBL28348557 0.84 DPP4 (0.55) DPP4KMT2AALDH1A1HSD17B10PDCD1
SCHEMBL666674 0.80 MAOB (0.38) DPP4PTGER4PTGER3PTGER2
SCHEMBL8717020 0.80 DPP4 (0.50) DPP4KMT2AALDH1A1HSD17B10PDCD1
SCHEMBL10599731 0.78 PTGER4 (0.50) DPP4KMT2AALDH1A1PDCD1CD274
SCHEMBL10599724 0.78 PTGER4 (0.50) DPP4KMT2AALDH1A1PDCD1CD274
SCHEMBL5889006 0.77 DPP4 (0.47) DPP4KMT2AALDH1A1HSD17B10PDCD1
SCHEMBL28042952 0.77 DPP4 (0.47) DPP4KMT2AALDH1A1PDCD1CD274
SCHEMBL8519703 0.76 DPP4 (0.46) DPP4KMT2AALDH1A1HSD17B10PDCD1
SCHEMBL10949035 0.76 KMT2A (0.51) DPP4KMT2AALDH1A1PDCD1CD274

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101952244-B N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2014-11-05 CN disclosed
CN-101952244-B N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2014-11-05 CN disclosed
US-8785393-B2 Ophthalmic pharmaceutical compositions of DP2 receptor antagonists PANMIRA PHARMACEUTICALS, LLC (US) 2014-07-22 US disclosed
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-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-8338484-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-12-25 US disclosed
US-8338484-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-12-25 US disclosed
EP-2480225-A2 DERMAL FORMULATIONS OF DP2 RECEPTOR ANTAGONISTS Panmira Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
US-20120184496-A1 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS PANMIRA PHARMACEUTICALS, LLC (US) 2012-07-19 US disclosed
WO-2009099901-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197959-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
JP-2007210952-A METHOD FOR PRODUCING 3-ALKYL-4,4'-BIPHENOL AND METHOD FOR PRODUCING MIXTURE OF 3-ALKYL-4,4'-BIPHENOL AND 3,3'-DIALKYL-4,4'-BIPHENOL HONSHU CHEM IND CO LTD 2007-08-23 JP disclosed
EP-0464465-B1 Substituted aminoalkylbiphenyl derivatives, antimycotic composition containing them, and intermediates for their preparation HOFFMANN LA ROCHE (CH) 1995-01-11 EP disclosed
US-5239084-A Chmical intermeidates for fungicides, mycosis HOFFMANN-LA ROCHE INC. (US) 1993-08-24 US disclosed
US-5239084-A Chmical intermeidates for fungicides, mycosis HOFFMANN-LA ROCHE INC. (US) 1993-08-24 US disclosed
US-5177067-A Fungicides HOFFMANN-LAROCHE INC. (US) 1993-01-05 US disclosed
US-5177067-A Fungicides HOFFMANN-LAROCHE INC. (US) 1993-01-05 US disclosed
EP-0464465-A1 Substituted aminoalkylbiphenyl derivatives, antimycotic composition containing them, and intermediates for their preparation F. HOFFMANN-LA ROCHE AG (CH) 1992-01-08 EP 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-20120184496-A1 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS PTGER2, P2RY2, TBXA2R DPP4 542/4885KMT2A 4109/4885ALDH1A1 1656/4885
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 DPP4 1847/4885KMT2A 4559/4885ALDH1A1 2005/4885
US-20090197959-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGIR DPP4 2250/4885KMT2A 4653/4885ALDH1A1 1877/4885

“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.