SCHEMBL14200094

SCHEMBL14200094

COc1ccc(F)c(C(C)(C)C)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
TUBB1 Q9H4B7 4/20 0.38
NFE2L2 Q16236 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KDM1A O60341 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL23771986 0.87 HTR2A (0.38) HTR2AHTR2CHTR2BTUBB1NFE2L2
SCHEMBL13748809 0.85 HTR2A (0.44) HTR2AHTR2CHTR2BTUBB1NFE2L2
SCHEMBL16421053 0.82 KCNH2 (0.31)
SCHEMBL22570314 0.80 HTR2A (0.42) HTR2AHTR2CHTR2BNFE2L2LMNA
SCHEMBL2955217 0.79 CA2 (0.43) TUBB1LMNAMAPK1HTTRAB9A
SCHEMBL8220456 0.79 NFE2L2 (0.44) NFE2L2LMNAMAPK1CA12CA1
SCHEMBL19294287 0.79 FFAR4 (0.34)
SCHEMBL12871808 0.77 CES2 (0.37)
SCHEMBL12678823 0.76 NQO2 (0.36) HTR2AHTR2CHTR2BTUBB1NFE2L2
SCHEMBL15780820 0.76 HTR2A (0.45) HTR2AHTR2CHTR2BMAPK1HTT

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 HTR2A 1983/4885HTR2C 1115/4885HTR2B 1404/4885

“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.