SCHEMBL5493736

SCHEMBL5493736

O=C(O)C1CCCC1.O=C(O)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
TSHR P16473 3/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
PMP22 Q01453 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52

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
SCHEMBL304519 1.00 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL12491655 1.00 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL8365391 1.00 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL12492077 1.00 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL1260777 1.00 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL25212375 1.00 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL10188550 1.00 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL242069 1.00 CES2 (0.61) CES2CES1TSHRGABRPGABRD
SCHEMBL6501 1.00
SCHEMBL11964239 1.00 CES2 (0.61) CES2CES1TSHRGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642901-B1 Novel erythromycin derivatives PFIZER PROD INC (US) 2007-10-31 EP disclosed
EP-1642901-A1 Novel erythromycin derivatives Pfizer Products Inc. (US) 2006-04-05 EP disclosed
US-7015203-B2 Erythromycin analogs and azalides, particularly ones with novel C-13 substituents; for treating bacterial and protozoa infections PFIZER INC. (US) 2006-03-21 US disclosed
EP-1602727-A2 Novel erythromycins and process for their preparation Biotica Technology Limited (GB) 2005-12-07 EP disclosed
EP-0909327-B1 ERYTHROMYCINS AND PROCESS FOR THEIR PREPARATION BIOTICA TECH LTD (GB) 2005-06-01 EP disclosed
US-6825171-B2 MACROLIDE ANTIBIOTIC USEFUL IN THE TREATMENT OF A BROAD SPRECTRUM OF BACTERIAL INFECTIONS AND PROTOZOA INFECTIONS PFIZER, INC. 2004-11-30 US disclosed
US-20040092459-A1 Novel macrolides PFIZER INC. 2004-05-13 US disclosed
US-20040067897-A1 Novel erythromycin derivatives PFIZER INC. 2004-04-08 US disclosed
US-6472371-B1 Macrolides PFIZER, INC. 2002-10-29 US disclosed
US-6437151-B2 FERMENTATION; CULTURE PRODUCT BIOTICA TECHNOLOGY LIMITED (GB) 2002-08-20 US disclosed
US-20010016598-A1 Fermenting suitable organisms such as saccharopolyspora erythraea in the presence of a carboxylic acid LEADLAY PETER FRANCIS (GB) 2001-08-23 US disclosed
US-6271255-B1 USEFUL AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS IN INFECTIONS IN MAMMALS, FISH, AND BIRDS BIOTICA TECHNOLOGY LIMITED (GB) 2001-08-07 US disclosed
EP-1044208-A1 ERYTHROMYCIN DERIVATIVES Pfizer Products Inc. (US) 2000-10-18 EP disclosed
EP-1044207-A1 NOVEL MACROLIDES Pfizer Products Inc. (US) 2000-10-18 EP disclosed
EP-0755912-B1 Process for the preparation of 2-substituted cyclopentanones BAYER AG (DE) 1999-09-08 EP disclosed
WO-1999035156-A1 NOVEL MACROLIDES PFIZER PRODUCTS INC. (US) 1999-07-15 WO disclosed
WO-1999035157-A1 NOVEL ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1999-07-15 WO disclosed
EP-0755912-A2 Process for the preparation of 2-substituted cyclopentanones BAYER AG (DE) 1997-01-29 EP disclosed
US-4064110-A FROM 5-ALKOXYMETHYL-1,3,4-DIOXAZOL-2-ONES, ALKALI METAL CARBOXYLATE CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-12-20 US disclosed
US-4017606-A CYTOSINE ARABINOSIDE AND HYDROGENATED PYRIMIDINE NUCLEOSIDES THE UPJOHN COMPANY (US) 1977-04-12 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 (3 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-20040067897-A1 Novel erythromycin derivatives GIPR, MLNR, PGC CES2 724/4885CES1 230/4885TSHR 938/4885
US-20010016598-A1 Fermenting suitable organisms such as saccharopolyspora erythraea in the presence of a carboxylic acid COASY, RPL13, DCXR CES2 335/4885CES1 333/4885TSHR 3774/4885
US-20040092459-A1 Novel macrolides CYP51A1, RPS12, AZI2 CES2 905/4885CES1 967/4885TSHR 2876/4885

“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.