SCHEMBL500773

SCHEMBL500773

COc1ccc(Br)c(C(OC)OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
ADRA2A P08913 2/20 0.40
ADRA1A P35348 2/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ACHE P22303 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL25358101 0.86 CA1 (0.40) CYP2D6ADRA2AADRA1ACA1CA2
SCHEMBL5411800 0.82 ADRA2A (0.39) CYP2D6ADRA2AADRA1ACA1CA2
SCHEMBL1494189 0.82 CYP2D6 (0.46) CYP2D6ADRA2AADRA1ACA1CA2
SCHEMBL595688 0.80 LTA4H (0.46) CYP2D6HPGDMEN1KMT2AHTT
SCHEMBL30503571 0.80 CYP2D6 (0.41) CYP2D6ADRA2AADRA1ACA1CA2
SCHEMBL14747763 0.80 CYP2D6 (0.41) CYP2D6ADRA2AADRA1ACA1CA2
SCHEMBL31682604 0.80 ADRA2A (0.47) CYP2D6ADRA2AADRA1ACA1CA2
SCHEMBL23457049 0.80 ADRA2A (0.47) CYP2D6ADRA2AADRA1ACA1CA2
SCHEMBL31035479 0.79 ALDH1A1 (0.37) MAPK1ALDH1A1TSHR
SCHEMBL14691495 0.78 ADRA2A (0.49) CYP2D6ADRA2AADRA1AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 US disclosed
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
US-20100190748-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
US-7582621-B2 Topically treating ungal and periungal infections of the nails, hoofs and claws of mammals by treating with 1-hydroxy-5-fluoro-1,3-dihydro-2,1-benzoxyborole; effectively penetrates the nail; onychomycosis; tinea unguium; fungicides; viricides; bactericides; parasiticides; yeast; microbiocides ANACOR PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 US 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
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed
US-20060234981-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2006-10-19 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 (17 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-20080194535-A1 DIAMINOPROPANE DERIVED MACROCYCLES AS INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, BACE2 CYP2D6 3633/4885ADRA2A 1474/4885ADRA1A 1332/4885
US-20060234981-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CYP2D6 1080/4885ADRA2A 4782/4885ADRA1A 4661/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 CYP2D6 2592/4885ADRA2A 3782/4885ADRA1A 3917/4885
US-20190160081-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA CYP2D6 4455/4885ADRA2A 2333/4885ADRA1A 3003/4885
US-20190330245-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 CYP2D6 1080/4885ADRA2A 4782/4885ADRA1A 4661/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA CYP2D6 4455/4885ADRA2A 2333/4885ADRA1A 3003/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA CYP2D6 4455/4885ADRA2A 2333/4885ADRA1A 3003/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA CYP2D6 4455/4885ADRA2A 2333/4885ADRA1A 3003/4885
US-20090291917-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 CYP2D6 4607/4885ADRA2A 2736/4885ADRA1A 3410/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA CYP2D6 4455/4885ADRA2A 2333/4885ADRA1A 3003/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF CYP2D6 4523/4885ADRA2A 2463/4885ADRA1A 3110/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 CYP2D6 1080/4885ADRA2A 4782/4885ADRA1A 4661/4885
US-20210070780-A1 Boron-Containing Small Molecules ETF1, POLR1C, DPM1 CYP2D6 1080/4885ADRA2A 4782/4885ADRA1A 4661/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA CYP2D6 2433/4885ADRA2A 4731/4885ADRA1A 4222/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA CYP2D6 4455/4885ADRA2A 2333/4885ADRA1A 3003/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA CYP2D6 4455/4885ADRA2A 2333/4885ADRA1A 3003/4885
US-20100190748-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 CYP2D6 1080/4885ADRA2A 4782/4885ADRA1A 4661/4885

“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.