SCHEMBL1446554

SCHEMBL1446554

Nc1cc(OCc2ccccc2)c(OC2CCOCC2)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.44
BAZ2B Q9UIF8 1/20 0.44
ADRB3 P13945 1/20 0.42
BRD4 O60885 3/20 0.42
FOLH1 Q04609 1/20 0.42
C5AR1 P21730 1/20 0.41
MCL1 Q07820 1/20 0.41
PDE4D Q08499 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PTGER1 P34995 1/20 0.40

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
SCHEMBL27577458 0.90 C5AR1 (0.51) FOLH1C5AR1MCL1PDE4DPDE4A
SCHEMBL1446525 0.84 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CPTGER1
SCHEMBL1446522 0.84 PDE4D (0.46) PDE4DPDE4APDE4BPDE4CPTGER1
SCHEMBL1446213 0.84 CTSV (0.48) KAT2BBAZ2BADRB3BRD4FOLH1
SCHEMBL7219195 0.80 C5AR1 (0.48) C5AR1MCL1PDE4DPDE4APDE4B
SCHEMBL12792470 0.78 CNR2 (0.51) BRD4CNR1CNR2
SCHEMBL1446438 0.77 CTSV (0.42) KAT2BBAZ2BBRD4
SCHEMBL3138320 0.77 CTSV (0.57) FOLH1
SCHEMBL4728946 0.77 CTSV (0.57) FOLH1
SCHEMBL31151927 0.76 CTSV (0.52) FOLH1MCL1PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343982-B2 Bicyclic heterocyclic compounds pharmaceutical compositions containing these compounds, their use and process for preparing the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2011-03-31 US disclosed
US-7910731-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2011-03-22 US disclosed
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2009-02-05 US disclosed
US-20060270672-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them HIMMELSBACH FRANK 2006-11-30 US disclosed
US-7119084-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-10 US disclosed
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US disclosed
US-6924285-B2 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. (DE) 2005-08-02 US disclosed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 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 (5 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-20060270672-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD KAT2B 2524/4885BAZ2B 1870/4885ADRB3 304/4885
US-20110077246-A1 BICYCLIC HETEROCYCLIC COMPOUNDS PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THE SAME CYP11B2, CYP11B1, PKD1 KAT2B 2589/4885BAZ2B 2101/4885ADRB3 326/4885
US-20090036676-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD KAT2B 2524/4885BAZ2B 1870/4885ADRB3 304/4885
US-20050182043-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B2, CYP11B1, HPGD KAT2B 2524/4885BAZ2B 1870/4885ADRB3 304/4885
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 KAT2B 3528/4885BAZ2B 2090/4885ADRB3 26/4885

“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.