SCHEMBL6494686

SCHEMBL6494686

O=Cc1cc(CCc2ccccc2)cc(CCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP2A6 P11509 2/20 0.48
MAOA P21397 5/20 0.44
MAOB P27338 5/20 0.44
FFAR1 O14842 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CALM1 P0DP23 1/20 0.40
KEAP1 Q14145 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
DAO P14920 2/20 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
SCHEMBL5020713 0.85 MAOA (0.56) ALDH1A1CYP2A6MAOAMAOBFFAR1
SCHEMBL2226596 0.82 ALDH1A1 (0.59) ALDH1A1CYP2A6MAOAMAOBFFAR1
SCHEMBL14369268 0.82 ALDH1A1 (0.59) ALDH1A1CYP2A6MAOAMAOBFFAR1
SCHEMBL4648373 0.81 ALDH1A1 (0.58) ALDH1A1CYP2A6MAOAMAOBFFAR1
SCHEMBL14330452 0.79 CYP2A6 (0.44) ALDH1A1CYP2A6HPGDHSD17B10SMN1; SMN2
SCHEMBL24191729 0.79 CYP2A6 (0.40) ALDH1A1CYP2A6MAOAMAOBFFAR1
SCHEMBL12022842 0.79 BCL2 (0.41) ALDH1A1CYP2A6MAOAMAOBFFAR1
SCHEMBL10473470 0.79 GPR84 (0.54) ALOX15GPR84SIGMAR1
Hydrochloric Acid SCHEMBL6324585 0.77 TBXAS1 (0.39) ALDH1A1CYP2A6MAOAMAOBTAAR1
Tannin Pyrogallol SCHEMBL28930134 0.77 ALDH1A1 (0.58) ALDH1A1CYP2A6MAOAMAOBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867218-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2005-03-15 US disclosed
US-20030195200-A1 Compounds, their preparation and use VTVX HOLDINGS II LLC 2003-10-16 US disclosed
US-6555577-B1 For treatment and/or prevention of conditions mediated by the Peroxisome Proliferator-Activated Receptors (PPAR), such as diabetes and/or obesity; 3-(4-(3-Biphenyl-4-yl-but-2-enyloxy)-phenyl)-2-butoxy-propionic acid for example NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
EP-1254101-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
WO-2001055085-A1 PROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 WO 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 (1 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-20030195200-A1 Compounds, their preparation and use PPARG, PPARA, PPARD ALDH1A1 257/4885CYP2A6 190/4885MAOA 1905/4885

“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.