SCHEMBL6036331

SCHEMBL6036331

COc1cccc(OCc2ccccc2)c1CC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTR1A P08908 5/20 0.50
ADRA1D P25100 4/20 0.50
ADRA1A P35348 4/20 0.50
ADRA1B P35368 4/20 0.50
ALDH1A1 P00352 2/20 0.49
SGMS2 Q8NHU3 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ATP4A P20648 1/20 0.48
ATP4B P51164 1/20 0.48

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
SCHEMBL7332578 0.83 CA1 (0.44) MAPK1MAPTTDP1ALDH1A1KDM4E
SCHEMBL11857664 0.82 MAPK1 (0.45) MAPK1MAPTTDP1L3MBTL1HTR1A
SCHEMBL11857656 0.82 MAPK1 (0.45) MAPK1MAPTTDP1L3MBTL1ALDH1A1
SCHEMBL8406800 0.82 MAPK1 (0.47) MAPK1MAPTTDP1L3MBTL1HTR1A
SCHEMBL7743971 0.82 RXRA (0.48) MAPK1MAPTTDP1L3MBTL1HTR1A
SCHEMBL2575268 0.80 L3MBTL1 (0.56) MAPK1MAPTTDP1L3MBTL1HTR1A
SCHEMBL6034592 0.79 BCHE (0.63) L3MBTL1KDM4EBCHE
SCHEMBL17583875 0.79 ABCB1 (0.53) MAPK1MAPTTDP1L3MBTL1HTR1A
SCHEMBL9201145 0.78 NPC1 (0.76) MAPK1MAPTTDP1L3MBTL1HTR1A
SCHEMBL6355596 0.78 MEN1 (0.56) MAPTALDH1A1KDM4ENPC1RAB9A

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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 MAPK1 717/4885MAPT 4741/4885TDP1 2926/4885

“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.