SCHEMBL596271

SCHEMBL596271

N#Cc1ccc(Oc2ccc3c(c2)CCC3O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
PGR P06401 2/20 0.48
PDE4B Q07343 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
CHRM1 P11229 1/20 0.48
ADRA1A P35348 1/20 0.48
PDE1A P54750 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE7A Q13946 1/20 0.48
PDE3A Q14432 1/20 0.48
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 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
SCHEMBL23793044 0.83 PGR (0.56) PPARDPPARAPGRCYP11B1CYP11B2
SCHEMBL9455945 0.83 PGR (0.56) PPARDPPARAPGRCYP11B1CYP11B2
SCHEMBL1029126 0.83 PGR (0.56) PPARDPPARAPGRCYP11B1CYP11B2
SCHEMBL29741231 0.83 PGR (0.56) PPARDPPARAPGRCYP11B1CYP11B2
SCHEMBL1744975 0.82 HRH3 (0.47) PPARDPDE4BPDE4APDE4CPDE4D
SCHEMBL5439689 0.81 PGR (0.61) PPARDPPARAPGRCYP11B1CYP11B2
SCHEMBL10058427 0.75 PDE4A (0.50) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL13518818 0.75 PDE4A (0.50) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4517438 0.74 PGR (0.58) PGRLMNAKMT2ACYP11B1CYP11B2
SCHEMBL4142468 0.74 PGR (0.58) PGRLMNAKMT2ACYP11B1CYP11B2

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
EP-3424932-B1 BORONOPHTHALIDES FOR THERAPEUTIC USE ANACOR PHARMACEUTICALS INC (US) 2021-04-07 EP disclosed
US-20210070780-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, INC. (US) 2021-03-11 US disclosed
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-02-13 US disclosed
US-20190330245-A1 Boron-Containing Small Molecules ANACOR PHARMACEUTICALS, INC. (US) 2019-10-31 US disclosed
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-05-30 US disclosed
EP-2719388-B1 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS INC (US) 2019-04-10 EP disclosed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
EP-1853251-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
WO-2007095638-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2007-08-23 WO disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
US-20060234981-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2006-10-19 US disclosed
WO-2006089067-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-24 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 (12 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-20060234981-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 PPARD 4524/4885PPARA 4487/4885PGR 3407/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 PPARD 47/4885PPARA 33/4885PGR 582/4885
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PPARD 2905/4885PPARA 1433/4885PGR 2065/4885
US-20190330245-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 PPARD 4524/4885PPARA 4487/4885PGR 3407/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PPARD 2905/4885PPARA 1433/4885PGR 2065/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PPARD 2905/4885PPARA 1433/4885PGR 2065/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PPARD 2905/4885PPARA 1433/4885PGR 2065/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF PPARD 2809/4885PPARA 1310/4885PGR 1935/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 PPARD 4524/4885PPARA 4487/4885PGR 3407/4885
US-20210070780-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 PPARD 4524/4885PPARA 4487/4885PGR 3407/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PPARD 2905/4885PPARA 1433/4885PGR 2065/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PPARD 2905/4885PPARA 1433/4885PGR 2065/4885

“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.