SCHEMBL658806

SCHEMBL658806

CCOC(=O)COc1cc(C)nc2c(OCc3ccccc3)cccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
ABCB1 P08183 1/20 0.47
BDKRB2 P30411 2/20 0.47
RORC P51449 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
KLK7 P49862 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE10A Q9Y233 1/20 0.44
F9 P00740 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
SCHEMBL6645842 0.82 CCR6 (0.52) KDM4E
SCHEMBL660649 0.82 KDM4E (0.57) KDM4ECASP3CASP7CASP9ALDH1A1
SCHEMBL4418341 0.80 CASP3 (0.59) KDM4ECASP3CASP7CASP9ABCB1
SCHEMBL6640544 0.79 PTGER1 (0.52) KDM4EADORA3ADORA2AADORA1MAPK1
SCHEMBL659166 0.78 MAPT (0.50) BDKRB2ADORA3ADORA2AADORA1MAPK1
SCHEMBL6642612 0.77 MAPT (0.49) BDKRB2PTGDR2ADORA3ADORA2AADORA1
SCHEMBL27252709 0.76 ABCB1 (0.54) KDM4ECASP3CASP7CASP9ABCB1
SCHEMBL659328 0.75 MAPT (0.51) BDKRB2ADORA3ADORA2AADORA1MAPK1
SCHEMBL6643791 0.75 RORC (0.44) KDM4EBDKRB2RORCADORA3ADORA2A
SCHEMBL6639484 0.75 MAPT (0.50) BDKRB2ADORA3ADORA2AADORA1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 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 (2 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR KDM4E 3092/4885CASP3 2464/4885CASP7 1862/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR KDM4E 3092/4885CASP3 2464/4885CASP7 1862/4885

“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.