SCHEMBL14200099

SCHEMBL14200099

COc1cc([N+](=O)[O-])c(OC)c(C(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
TSHR P16473 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
G6PD P11413 1/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TPMT P51580 1/20 0.42
HTT P42858 2/20 0.41
CYP19A1 P11511 1/20 0.39
GALR3 O60755 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9657631 0.84 MAPT (0.56) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL26218849 0.83 ALDH1A1 (0.65) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL13376134 0.83 ALDH1A1 (0.60) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL1542233 0.82 ALDH1A1 (0.59) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL703552 0.82 ALDH1A1 (0.59) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL5361776 0.80 ALDH1A1 (0.56) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL1730836 0.78 ALDH1A1 (0.55) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL16019381 0.78 ALDH1A1 (0.53) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL17374957 0.78 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL22360314 0.78 CA1 (0.64) ALDH1A1TSHRTDP1CA1CA2

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 ALDH1A1 2289/4885TSHR 508/4885TDP1 4683/4885

“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.