SCHEMBL1294841

SCHEMBL1294841

NC/C(=C/F)Cc1ccc(OCC2CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 2/20 0.40
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
AOC2 O75106 4/20 0.37
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.37
AOC3 Q16853 3/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
DAO P14920 1/20 0.36

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
SCHEMBL1294843 1.00 PPARD (0.41) PPARDPPARAPPARGHTR2AHTR2C
SCHEMBL1294941 1.00 PPARD (0.41) PPARDPPARAPPARGHTR2AHTR2C
SCHEMBL12107818 0.90 PPARD (0.41) PPARDPPARAPPARGHTR2AHTR2C
SCHEMBL4661933 0.82 PPARD (0.45) PPARDPPARAPPARGHTR2AHTR2C
SCHEMBL4660537 0.82 PPARD (0.45) PPARDPPARAPPARGHTR2AHTR2C
SCHEMBL1294695 0.82 KDM1A (0.42) PPARDPPARAPPARGAOC2MAOB
SCHEMBL1294902 0.82 KDM1A (0.42) PPARDPPARAPPARGAOC2MAOB
SCHEMBL1294697 0.82 KDM1A (0.42) PPARDPPARAPPARGAOC2MAOB
SCHEMBL1295412 0.80 MAOA (0.47) AOC2MAOBMAOAAOC3DAO
SCHEMBL1295416 0.80 MAOA (0.47) AOC2MAOBMAOAAOC3DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US claimed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US claimed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 US claimed
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 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-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases VCAM1, AOC3, AOC2 PPARD 3854/4885PPARA 3068/4885PPARG 2679/4885
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 PPARD 3854/4885PPARA 3068/4885PPARG 2679/4885
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 PPARD 3854/4885PPARA 3068/4885PPARG 2679/4885

“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.