SCHEMBL14200085

SCHEMBL14200085

COc1c(C)ccc(C(C)(C)C)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL12401767 0.84 ALDH1A1 (0.37) ALDH1A1TSHRTDP1ALOX5APFEN1
SCHEMBL14405259 0.78 ALDH1A1 (0.36) ALDH1A1TSHRTDP1LMNAPTGS2
SCHEMBL10824246 0.76 GABRA1 (0.37) ALDH1A1TSHRTDP1GABRA1GABRB2
SCHEMBL19240338 0.76 ALOX5AP (0.42) ALDH1A1TSHRTDP1ALOX5APFEN1
SCHEMBL31588937 0.75 ADRA2A (0.39) ALDH1A1TSHRTDP1ALOX5APFEN1
SCHEMBL19194345 0.74 MAPT (0.33) ALDH1A1TSHRTDP1ALOX5APFEN1
SCHEMBL21567219 0.74 L3MBTL1 (0.41) ALDH1A1TSHRLMNAHPGDPTGS2
SCHEMBL20457053 0.74 GABRA1 (0.35) ALDH1A1TSHRTDP1GABRA1GABRB2
SCHEMBL16829382 0.73 ALOX5AP (0.36) ALDH1A1TSHRTDP1ALOX5APFEN1
SCHEMBL26030932 0.72 GABRA1 (0.48) ALDH1A1TSHRTDP1ALOX5APFEN1

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.