SCHEMBL14200020

SCHEMBL14200020

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.47
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLRA1 P23415 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
LIPE Q05469 1/20 0.40
CCR5 P51681 2/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL14200023 0.88 CCR5 (0.48) CYP19A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL682767 0.83 MAPT (0.49) MAPTMAPK1TDP1L3MBTL1GLRA1
SCHEMBL15871969 0.80 CYP19A1 (0.50) CYP19A1MAPTMAPK1TDP1L3MBTL1
SCHEMBL14200042 0.80 KEAP1 (0.53) MAPTMAPK1TDP1L3MBTL1
SCHEMBL10148264 0.79 MRGPRX4 (0.56) MAPTMAPK1TDP1L3MBTL1GLRA1
SCHEMBL14200018 0.79 MAPT (0.45) MAPTMAPK1TDP1L3MBTL1GLRA1
SCHEMBL12738664 0.79 NPC1 (0.55) MAPT
SCHEMBL17833745 0.79 SMPD1 (0.53) MAPK1
SCHEMBL11838152 0.78 CCR5 (0.46) MAPTMAPK1TDP1L3MBTL1GLRA1
SCHEMBL12774397 0.77 MAPT (0.58) CYP19A1MAPTMAPK1TDP1L3MBTL1

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 3 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
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 CYP19A1 3077/4885MAPT 4669/4885MAPK1 1183/4885

“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.