SCHEMBL4871865

SCHEMBL4871865

COCCCCC1CCNC(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
ARG1 P05089 1/20 0.42
ITGB3 P05106 1/20 0.37

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
SCHEMBL4866065 0.95 GRIN2D (0.44) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL5519305 0.88 ARG1 (0.56) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL5520088 0.84 ARG1 (0.57) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL4860853 0.83 DRD3 (0.48) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL4868883 0.82 ARG1 (0.42) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL4870457 0.81 ARG1 (0.46) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL4870386 0.81 ARG1 (0.46) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL4867194 0.80 ARG1 (0.45) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL4864228 0.80 ARG1 (0.47) MEN1ALDH1A1CYP1A2THRBALOX15
SCHEMBL4867486 0.79 ARG1 (0.44) MEN1ALDH1A1CYP1A2THRBALOX15

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 4 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
EP-1814893-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2007-08-08 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MEN1 4303/4885ALDH1A1 2927/4885CYP1A2 3996/4885

“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.