SCHEMBL12366273

SCHEMBL12366273

Cc1ccc(F)cc1C1=CC(C)Oc2ccc(C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
MAPK14 Q16539 3/20 0.37
HTR7 P34969 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
AKR1B1 P15121 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC9A1 P19634 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CTDSP1 Q9GZU7 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
SCHEMBL12366309 0.90 TDP1 (0.39) TDP1GRIK1GRIA1GRIA2GRIA3
SCHEMBL12366145 0.89 TDP1 (0.40) TDP1MAPK14ALDH1A1AKR1B1
SCHEMBL12366248 0.87 MAPK14 (0.40) MAPK14HTR7ALDH1A1HPGDKDM4E
SCHEMBL12365914 0.86 KDM4A (0.40) TDP1MAPK14ALDH1A1HPGDAKR1B1
SCHEMBL12366276 0.85 TDP1 (0.39) TDP1GRIK1GRIA1GRIA2GRIA3
SCHEMBL12389148 0.85 LMNA (0.46) TDP1SLC9A1TSHR
SCHEMBL12366177 0.84 TDP1 (0.39) TDP1HTR7AKR1B1TSHR
SCHEMBL12366624 0.84 SLC9A1 (0.49) HTR7SLC9A1
SCHEMBL12390002 0.84 NR3C2 (0.37) TDP1ALDH1A1HPGDAKR1B1
SCHEMBL12366298 0.84 TDP1 (0.36) TDP1MAPK14ALDH1A1AKR1B1

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.