SCHEMBL14200219

SCHEMBL14200219

CC(C)(C)c1cc(CN2CCOCC2)cc(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
HRH3 Q9Y5N1 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
NCF1 P14598 1/20 0.46
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
KCNH2 Q12809 1/20 0.44
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOS1 P29475 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
SCHEMBL19590633 0.90 MAPT (0.47) MAPTHRH3SIGMAR1SMN1; SMN2NCF1
SCHEMBL14228565 0.90 MAPT (0.47) MAPTHRH3SIGMAR1SMN1; SMN2NCF1
SCHEMBL3197116 0.89 MAPT (0.46) MAPTHRH3SIGMAR1SMN1; SMN2NCF1
SCHEMBL16244706 0.89 HTT (0.46) MAPTHRH3SIGMAR1SMN1; SMN2NCF1
SCHEMBL3185946 0.89 MAPT (0.46) MAPTHRH3SIGMAR1SMN1; SMN2NCF1
SCHEMBL19590636 0.86 MAPT (0.54) MAPTHRH3SIGMAR1SMN1; SMN2NCF1
SCHEMBL17896326 0.84 MAP4K4 (0.46) MAPTHRH3SIGMAR1SMN1; SMN2NCF1
SCHEMBL270611 0.83 NCF1 (0.60) HRH3SIGMAR1SMN1; SMN2NCF1HTT
SCHEMBL14200264 0.83 ALDH1A1 (0.59) MAPTHRH3SIGMAR1NCF1KCNH2
SCHEMBL270530 0.82 SIGMAR1 (0.67) MAPTHRH3SIGMAR1SMN1; SMN2HIF1A

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 MAPT 4669/4885HRH3 782/4885SIGMAR1 142/4885

“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.