SCHEMBL14200023

SCHEMBL14200023

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.48
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
GLRA1 P23415 1/20 0.41
APP P05067 2/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL14200020 0.88 CYP19A1 (0.47) CCR5MAPTMAPK1TDP1L3MBTL1
SCHEMBL682767 0.83 MAPT (0.49) CCR5MAPTMAPK1TDP1L3MBTL1
SCHEMBL12868786 0.80 FFAR4 (0.54) CCR5MAPTMAPK1TDP1L3MBTL1
SCHEMBL12889910 0.80 GLRA1 (0.50) CCR5MAPTMAPK1TDP1L3MBTL1
SCHEMBL14228410 0.80 CCR5 (0.51) CCR5MAPTMAPK1TDP1L3MBTL1
SCHEMBL24313779 0.79 FFAR1 (0.52) CCR5MAPTMAPK1TDP1L3MBTL1
SCHEMBL17833745 0.79 SMPD1 (0.53) MAPK1MEN1KMT2AALDH1A1RAB9A
SCHEMBL14200026 0.79 MAPT (0.45) CCR5MAPTMAPK1TDP1L3MBTL1
SCHEMBL12738664 0.79 NPC1 (0.55) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL10172543 0.79 NPC1 (0.52) CCR5MAPTMAPK1TDP1L3MBTL1

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 CCR5 1018/4885MAPT 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.