SCHEMBL1935945

SCHEMBL1935945

COC(=O)c1cc(CO)oc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HTT P42858 4/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 4/20 0.48
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
USP2 O75604 1/20 0.46
TTR P02766 1/20 0.45
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 3/20 0.43
FUCA1 P04066 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
APEX1 P27695 2/20 0.43
TDP1 Q9NUW8 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
SCHEMBL12293931 0.86 ALDH1A1 (0.49) ALDH1A1HTTKDM4ETSHRLMNA
SCHEMBL19834811 0.84 TSHR (0.47) ALDH1A1HTTKDM4ETSHRLMNA
SCHEMBL1936670 0.84 ALDH1A1 (0.51) ALDH1A1HTTKDM4ETSHRLMNA
SCHEMBL17113078 0.84 ALDH1A1 (0.48) ALDH1A1HTTKDM4ETSHRLMNA
Hydrochloric Acid SCHEMBL17113229 0.83 ALDH1A1 (0.47) ALDH1A1HTTKDM4ETSHRLMNA
SCHEMBL1935694 0.83 ALDH1A1 (0.47) ALDH1A1HTTKDM4ETSHRLMNA
SCHEMBL21787713 0.81 CA12 (0.41) ALDH1A1HTTKDM4ETSHRSMN1; SMN2
SCHEMBL19834868 0.79 TTR (0.68) ALDH1A1HTTKDM4ESMN1; SMN2NPC1
SCHEMBL31331707 0.78 CA12 (0.40) ALDH1A1HTTKDM4ETSHRSMN1; SMN2
SCHEMBL10316427 0.78 ALDH1A1 (0.46) ALDH1A1HTTKDM4ETSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ALDH1A1 3283/4885HTT 2939/4885KDM4E 2806/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 ALDH1A1 3363/4885HTT 3144/4885KDM4E 2968/4885

“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.