SCHEMBL14509577

SCHEMBL14509577

CCNc1ccc(C(c2ccc(NC(C)(C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ ADRA2A P08913 4/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ AR P10275 2/20 0.33
▸ KIF11 P52732 2/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ CCNE2 O96020 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ PTPN11 Q06124 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
SCHEMBL10721177 0.91 ESR1 (0.45) ESR1ESR2MAPTADRA2AADRA2B
SCHEMBL13884329 0.89 ESR1 (0.46) ESR1ESR2MAPTLMNAKIF11
SCHEMBL10261173 0.83 MAPT (0.47) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL1797711 0.75 KIF11 (0.52) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL4597093 0.75 HSD11B1 (0.44) MAPTADRA2AADRA2BADRA2CPDK1
Bromide SCHEMBL29203652 0.74 KIF11 (0.50) MAPTADRA2AADRA2BADRA2CLMNA
Iodide SCHEMBL29229874 0.74 KIF11 (0.50) MAPTADRA2AADRA2BADRA2CLMNA
Hydrochloric Acid SCHEMBL28869473 0.74 KIF11 (0.50) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL8025764 0.73 CA1 (0.46) MAPTADRA2AADRA2BADRA2CLMNA
SCHEMBL12257213 0.73 KIF11 (0.54) LMNAKIF11CCNE2CCNA2CCNE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070134729-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-06-14 — — 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-20070134729-A1 Novel antibacterial agents ENGASE, PGLS, PEPD ESR1 4393/4885ESR2 4539/4885MAPT 3874/4885

“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.

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