SCHEMBL755096

SCHEMBL755096

COc1ccc(Oc2ccc(C=O)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.56
ALDH1A1 P00352 9/20 0.56
CYP2A6 P11509 1/20 0.56
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
AOX1 Q06278 1/20 0.47
TUBB1 Q9H4B7 4/20 0.45
FDPS P14324 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44

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
SCHEMBL26236493 0.90 TTR (0.50) TTRALDH1A1CYP2A6TSHRLMNA
SCHEMBL30816847 0.87 ALDH1A1 (0.51) TTRALDH1A1TSHRHPGDMEN1
SCHEMBL6142767 0.87 ALDH1A1 (0.51) TTRALDH1A1TSHRHPGDMEN1
SCHEMBL4016806 0.86 TTR (0.56) TTRALDH1A1CYP2A6TSHRLMNA
SCHEMBL23120903 0.84 HSD17B10 (0.47) TTRALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL13218233 0.83 TTR (0.64) TTRALDH1A1CYP2A6TSHRLMNA
SCHEMBL26936583 0.83 TTR (0.79) TTRALDH1A1CYP2A6TSHRLMNA
SCHEMBL29400600 0.83 ALDH1A1 (0.68) TTRALDH1A1TSHRLMNAHPGD
SCHEMBL7531959 0.83 ALDH1A1 (0.68) TTRALDH1A1TSHRLMNAHPGD
SCHEMBL435689 0.83 ALDH1A1 (0.68) TTRALDH1A1TSHRLMNAHPGD

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 TTR 3260/4885ALDH1A1 2920/4885CYP2A6 1858/4885

“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.