SCHEMBL12239003

SCHEMBL12239003

COc1ccc(Oc2ccc(CN)cc2)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAOB P27338 3/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 3/20 0.41
ADRA1A P35348 2/20 0.41
KLKB1 P03952 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.39
HTR2A P28223 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL756590 0.87 L3MBTL1 (0.48) ST14MAOBRAB9AL3MBTL1HTR2A
SCHEMBL28499495 0.82 ALDH1A1 (0.58) ALDH1A1GAAMEN1KMT2ATAAR1
SCHEMBL12239020 0.80 ST14 (0.47) ST14ALDH1A1MAOBTAAR1L3MBTL1
SCHEMBL12239019 0.80 ST14 (0.52) ST14ALDH1A1MAOBMEN1KMT2A
SCHEMBL12239030 0.80 ST14 (0.52) ST14MAOBTAAR1ADRA1AKLKB1
SCHEMBL12239024 0.78 ST14 (0.50) ST14MAOBTAAR1ADRA1A
SCHEMBL2540071 0.78 ST14 (0.50) ST14MAOBHTR2A
SCHEMBL10121117 0.78 L3MBTL1 (0.51) ST14ALDH1A1GAAMAOBMEN1
SCHEMBL799846 0.76 ALDH1A1 (0.70) ALDH1A1GAAMEN1KMT2ATAAR1
SCHEMBL12239022 0.75 ST14 (0.50) ST14MAOBTAAR1KLKB1HTR2A

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-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US 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 ST14 4642/4885ALDH1A1 2920/4885GAA 4669/4885

“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.