SCHEMBL14200029

SCHEMBL14200029

CC(C)c1ccc(C#N)c(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
PGGT1B P53609 1/20 0.50
XDH P47989 3/20 0.45
SGMS2 Q8NHU3 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GRM2 Q14416 1/20 0.42

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
SCHEMBL14200028 0.91 MAOB (0.56) MAOBFNTAFNTBPGGT1BXDH
SCHEMBL14200042 0.82 KEAP1 (0.53)
SCHEMBL19431639 0.82 L3MBTL1 (0.48) MAOBFNTAFNTBPGGT1BXDH
SCHEMBL682767 0.82 MAPT (0.49)
SCHEMBL15831939 0.81 MAOB (0.56) MAOBFNTAFNTBPGGT1BXDH
SCHEMBL18119749 0.80 ACHE (0.43) XDH
SCHEMBL20766376 0.80 MAOB (0.59) MAOBFNTAFNTBPGGT1B
SCHEMBL3865512 0.79 MAOB (0.77) MAOBFNTAFNTBPGGT1BXDH
SCHEMBL28185508 0.79 MAOB (0.58) MAOBFNTAFNTBPGGT1BXDH
SCHEMBL2700393 0.78 MAOB (0.56) MAOBFNTAFNTBPGGT1BXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 MAOB 4153/4885FNTA 4374/4885FNTB 2812/4885

“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.