SCHEMBL660649

SCHEMBL660649

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
CASP3 P42574 1/20 0.53
CASP7 P55210 1/20 0.53
CASP9 P55211 1/20 0.53
CCR6 P51684 1/20 0.47
F9 P00740 1/20 0.46
ESR1 P03372 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
KLK7 P49862 1/20 0.44
PDE10A Q9Y233 3/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TLR9 Q9NR96 1/20 0.42

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
SCHEMBL659122 0.86 KDM4E (0.76) KDM4ECCR6ALDH1A1SMN1; SMN2MAPT
SCHEMBL6643616 0.85 KDM4E (0.52) KDM4ECASP3CCR6SMN1; SMN2MAPT
SCHEMBL658806 0.82 KDM4E (0.54) KDM4ECASP3CASP7CASP9F9
SCHEMBL6639297 0.80 KDM4E (0.50) KDM4ECCR6ALDH1A1SMN1; SMN2MAPT
SCHEMBL6643262 0.77 CD38 (0.46) CCR6
SCHEMBL6643288 0.76 KDM4E (0.49) KDM4ECCR6SMN1; SMN2MAPTPDE10A
SCHEMBL6640264 0.76 CCR6 (0.71) KDM4ECCR6ALDH1A1MAPTUSP2
SCHEMBL6643141 0.75 KDM4E (0.48) KDM4ECCR6SMN1; SMN2MAPTPDE10A
SCHEMBL2875528 0.75 CRHR1 (0.55) KDM4EALDH1A1SMN1; SMN2MAPTPDE10A
SCHEMBL29555308 0.75 CRHR1 (0.55) KDM4EALDH1A1SMN1; SMN2MAPTPDE10A

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-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
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.