SCHEMBL14200088

SCHEMBL14200088

COc1cc(Br)c(C(C)(C)C)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PRKDC P78527 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
HTR2A P28223 5/20 0.43
FABP4 P15090 1/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL8499602 0.84 LMNA (0.59) CYP3A4LMNATP53HPGDALOX15
SCHEMBL17821723 0.84 ALOX15 (0.58) CYP3A4LMNATP53HPGDALOX15
SCHEMBL2946854 0.83 CYP3A4 (0.60) CYP3A4LMNATP53HPGDALOX15
SCHEMBL17821822 0.80 MEN1 (0.52) LMNAHPGDMAPTL3MBTL1
SCHEMBL12781654 0.78 CYP3A4 (0.68) CYP3A4LMNATP53HPGDALOX15
SCHEMBL398164 0.78 CYP3A4 (0.74) CYP3A4LMNATP53HPGDALOX15
SCHEMBL24871322 0.77 ALDH1A1 (0.43) CYP3A4LMNATP53HPGDALOX15
SCHEMBL369991 0.77 POLB (0.67) CYP3A4MAPTNPSR1PRKDCPOLB
SCHEMBL29878552 0.77 POLB (0.67) CYP3A4MAPTNPSR1PRKDCPOLB
SCHEMBL11260892 0.77 LMNA (0.50) CYP3A4LMNATP53HPGDALOX15

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 CYP3A4 1584/4885LMNA 4466/4885TP53 4661/4885

“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.