SCHEMBL753615

SCHEMBL753615

CC(=O)c1ccc(Oc2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.70
▸ HPGD P15428 2/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ ALOX15 P16050 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ ADAM17 P78536 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ PPARG P37231 1/20 0.50
▸ PPARA Q07869 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ ESRRA P11474 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GAA P10253 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46

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
SCHEMBL1906677 0.94 ALOX15 (0.61) MAPTHPGDRAB9AALOX15GFER
SCHEMBL7984136 0.89 ALOX15 (0.56) MAPTHPGDRAB9AALOX15GFER
SCHEMBL185920 0.84 ALDH1A1 (0.56) MAPTHPGDRAB9AALOX15GFER
SCHEMBL203697 0.84 HPGD (1.00) MAPTHPGDRAB9AALDH1A1ESRRA
SCHEMBL3301210 0.84 HPGD (1.00) MAPTHPGDRAB9AALDH1A1ESRRA
SCHEMBL4117708 0.82 ALDH1A1 (0.61) MAPTRAB9AALOX15GFERADAM17
SCHEMBL22505175 0.81 MAPT (0.57) MAPTHPGDRAB9AALOX15GFER
SCHEMBL2545564 0.79 GAA (0.54) MAPTHPGDRAB9AALOX15GFER
SCHEMBL754261 0.79 GAA (0.54) MAPTHPGDRAB9AALOX15GFER
SCHEMBL3138940 0.79 HPGD (0.79) MAPTHPGDRAB9AALDH1A1ESRRA

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 5 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
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 — — EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 — — 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 (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 MAPT 3258/4885HPGD 587/4885RAB9A 2107/4885

“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.

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