SCHEMBL14200319

SCHEMBL14200319

CC(C)c1ccc(CN2CCOCC2)c(C(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.59
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2A13 Q16696 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL26137532 0.88 KCNH2 (0.59) KCNH2MAPTCYP2C9ALOX15HSD17B10
SCHEMBL14228229 0.85 KCNH2 (0.62) KCNH2MAPTCYP2C9ALOX15HSD17B10
SCHEMBL26505561 0.84 MAPT (0.51) KCNH2MAPTCYP2C9ALOX15HSD17B10
SCHEMBL14200340 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL19121847 0.82 KCNH2 (0.62) KCNH2MAPTCYP2C9ALOX15HSD17B10
SCHEMBL13091284 0.81 KCNH2 (0.57) KCNH2MAPTCYP2C9ALOX15HSD17B10
SCHEMBL12545827 0.81 KCNH2 (0.61) KCNH2CYP2C9ALOX15HSD17B10CYP2A13
SCHEMBL4111089 0.80 CYP2A13 (0.63) KCNH2MAPTCYP2C9ALOX15HSD17B10
SCHEMBL4547887 0.76 HRH3 (0.65) KCNH2MAPTALOX15ALDH1A1LMNA
SCHEMBL23612471 0.75 HTR1D (0.60) KCNH2MEN1KMT2ALMNA

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 KCNH2 2677/4885MAPT 4669/4885CYP2C9 1607/4885

“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.