SCHEMBL14048261

SCHEMBL14048261

NCCOCCOCC#Cc1ccc2[nH]cc(C(=O)O)c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 4/20 0.39
POLB P06746 3/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 2/20 0.39
CYP2C9 P11712 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MDH2 P40926 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3816406 0.86 ALDH1A1 (0.50) HTTKDM4EHSD17B10POLBCYP1A2
SCHEMBL14045455 0.81 HTT (0.43) HTTKDM4EHSD17B10POLBCYP1A2
SCHEMBL13997404 0.79 HTT (0.44) HTTKDM4EHSD17B10POLBCYP1A2
SCHEMBL3813878 0.76 KDM4E (0.53) HTTKDM4EHSD17B10POLBCYP1A2
SCHEMBL13799071 0.73 KDM4E (0.54) HTTKDM4EHSD17B10POLBCYP1A2
SCHEMBL31024840 0.72 KDM4E (0.62) HTTKDM4EHSD17B10POLBCYP1A2
SCHEMBL5163027 0.70 HTT (0.49) HTTKDM4EPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL5191003 0.70 HTT (0.47) HTTKDM4EMEN1KMT2AHPGD
Trifluoroacetic Acid SCHEMBL3815453 0.70 KDM4E (0.50) HTTKDM4EHSD17B10POLBCYP1A2
Formic Acid SCHEMBL5161456 0.68 HTT (0.44) HTTKDM4EMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 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 (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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections CYP51A1, TLR5, MALT1 HTT 3684/4885KDM4E 2612/4885HSD17B10 264/4885

“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.