SCHEMBL4871286

SCHEMBL4871286

COC(=O)c1cc(CCCO)ccn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.54
CYP4F2 P78329 4/20 0.51
PARP1 P09874 1/20 0.46
ALDH1A1 P00352 1/20 0.44
AR P10275 1/20 0.43
ACACB O00763 1/20 0.42
NR3C2 P08235 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
MAPK1 P28482 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38

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
SCHEMBL22335931 0.95 CYP4A11 (0.57) CYP4A11CYP4F2PARP1ALDH1A1AR
SCHEMBL9518746 0.91 CYP4A11 (0.54) CYP4A11CYP4F2PARP1ALDH1A1AR
SCHEMBL5510075 0.85 PARP1 (0.45) CYP4A11CYP4F2PARP1ALDH1A1AR
SCHEMBL5517940 0.85 PARP1 (0.45) CYP4A11CYP4F2PARP1ALDH1A1AR
SCHEMBL25801705 0.85 AR (0.47) CYP4A11CYP4F2PARP1ARSMYD3
SCHEMBL5511246 0.84 PARP1 (0.44) CYP4A11CYP4F2PARP1ALDH1A1AR
SCHEMBL5527368 0.84 PARP1 (0.44) CYP4A11CYP4F2PARP1ALDH1A1AR
SCHEMBL502256 0.84 PARP1 (0.50) PARP1ALDH1A1ARACACBLOXL2
SCHEMBL29479667 0.84 PARP1 (0.50) PARP1ALDH1A1ARACACBLOXL2
SCHEMBL5511839 0.83 PARP1 (0.43) CYP4A11CYP4F2PARP1ALDH1A1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361743-B2 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PFIZER INC (US) 2008-04-22 US disclosed
US-7256177-B2 Lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS, INC. (US) 2007-08-14 US disclosed
EP-1814893-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2007-08-08 EP disclosed
US-7199106-B2 Lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS, INC. (US) 2007-04-03 US disclosed
US-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-07-06 US disclosed
WO-2006055070-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2006-05-26 WO disclosed
EP-1644393-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides VICURON PHARMACEUTICALS INC. 2005-09-29 US disclosed
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity VICURON PHARMACEUTICALS INC. 2005-02-24 US disclosed
WO-2005012320-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2005-02-10 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 (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-20060148722-A1 Novel lincomycin derivatives possessing antibacterial activity LCLAT1, LAS1L, NRDC CYP4A11 4703/4885CYP4F2 4570/4885PARP1 3055/4885
US-20050215488-A1 Such as 5-propyl-azepane-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide; for prevention and treatment of mycobacterial, mycoplasmal or chlamydia infection; microbiocides PAM, MLYCD, PPT1 CYP4A11 4651/4885CYP4F2 4584/4885PARP1 2212/4885
US-20050043248-A1 Novel lincomycin derivatives possessing antimicrobial activity LCLAT1, NRDC, LAS1L CYP4A11 4711/4885CYP4F2 4584/4885PARP1 3114/4885

“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.