SCHEMBL12366307

SCHEMBL12366307

Cc1cc(F)cc(F)c1C1=CC(C)Oc2ccc(C(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
GRIK1 P39086 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
MAPK14 Q16539 4/20 0.33
TTR P02766 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
AKR1B1 P15121 1/20 0.32
HTR7 P34969 1/20 0.32
HTR5A P47898 1/20 0.32
ALDH1A1 P00352 2/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL12365552 0.93 TDP1 (0.41) TDP1MAPK14TTRMAPK1LMNA
SCHEMBL12366025 0.93 TDP1 (0.41) TDP1MAPK14TTRMAPK1LMNA
SCHEMBL12366046 0.93 TDP1 (0.41) TDP1MAPK14TTRMAPK1LMNA
SCHEMBL12366258 0.88 SMN1; SMN2 (0.36) MAPK14LMNAHTTRAB9AHTR7
SCHEMBL12366228 0.86 TTR (0.40) TDP1MAPK14TTRMRGPRX4
SCHEMBL12389235 0.85 LMNA (0.44) TDP1TTRMAPK1LMNAHTT
SCHEMBL12366636 0.85 HTR5A (0.48) HTR7HTR5A
SCHEMBL12366309 0.83 TDP1 (0.39) TDP1GRIK1GRIA1GRIA2GRIA3
SCHEMBL12366132 0.83 TTR (0.43) TDP1MAPK14TTRMAPK1LMNA
SCHEMBL12365914 0.82 KDM4A (0.40) TDP1MAPK14TTRMAPK1LMNA

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 TDP1 378/4885GRIK1 369/4885GRIA1 61/4885

“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.