SCHEMBL757901

SCHEMBL757901

COc1ccc(Oc2ccc(C(C)=O)cc2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 2/20 0.51
RAB9A P51151 2/20 0.50
SCN9A Q15858 1/20 0.50
HPGD P15428 1/20 0.50
EPHX2 P34913 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ESRRA P11474 2/20 0.49
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KIF11 P52732 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL3649917 0.87 PARP10 (0.58) KMT2AMAPTKDM4ERAB9AEPHX2
SCHEMBL11307960 0.84 SCN9A (0.49) KMT2AMAPTKDM4ERAB9ASCN9A
SCHEMBL2545560 0.83 MAPT (0.43) MAPTKDM4ERAB9ASCN9AEPHX2
SCHEMBL755015 0.83 MAPT (0.43) MAPTKDM4ERAB9ASCN9AEPHX2
SCHEMBL3719026 0.81 MAPT (0.40) MAPTKDM4ESCN9AHPGDEPHX2
SCHEMBL2786289 0.80 AR (0.53) MAPTKDM4ERAB9ASMN1; SMN2MAPK1
SCHEMBL3727500 0.80 MAPK10 (0.40) MAPTKDM4ESCN9AHPGDEPHX2
SCHEMBL79042 0.79 ALDH1A1 (0.50) KMT2AMAPTKDM4ERAB9ASCN9A
SCHEMBL29638900 0.79 ALDH1A1 (0.50) KMT2AMAPTKDM4ERAB9ASCN9A
SCHEMBL8116738 0.78 L3MBTL1 (0.47) KMT2AMAPTKDM4ERAB9AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 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 (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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB KMT2A 3881/4885MAPT 3258/4885KDM4E 4017/4885

“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.