SCHEMBL12389753

SCHEMBL12389753

COC(=O)c1ccc2c(c1)C(c1c(F)cc(F)cc1OC)=CC(C)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
PYGL P06737 1/20 0.36
ABCB1 P08183 4/20 0.36
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
MCL1 Q07820 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TNF P01375 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
BRD4 O60885 1/20 0.34
CNR2 P34972 1/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL12365575 0.92 MAPT (0.38) MAPTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL12366047 0.92 MAPT (0.38) MAPTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL12366024 0.92 MAPT (0.38) MAPTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL12389235 0.90 LMNA (0.44) PYGLLMNAHTTRAB9A
SCHEMBL12366258 0.88 SMN1; SMN2 (0.36) MAPTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL12389224 0.87 PYGL (0.41) MAPTPYGLABCB1KMT2AMEN1
SCHEMBL12366187 0.86 CA1 (0.38) MAPTPYGLABCB1KMT2ALMNA
SCHEMBL12389283 0.85 HTR5A (0.43)
SCHEMBL12390216 0.85 PARP1 (0.39) MAPTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL12366124 0.83 RAB9A (0.40) MAPTPYGLKMT2ASMN1; SMN2MEN1

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E MAPT 463/4885PYGL 4343/4885ABCB1 1664/4885

“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.