SCHEMBL12366309

SCHEMBL12366309

Cc1cc(F)ccc1C1=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
MAPK14 Q16539 2/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
OXTR P30559 2/20 0.34
AVPR1A P37288 2/20 0.34
AKR1B1 P15121 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
HTR7 P34969 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
SCHEMBL12366273 0.90 TDP1 (0.39) TDP1MAPK14ALDH1A1KDM4EL3MBTL1
SCHEMBL12365914 0.89 KDM4A (0.40) TDP1MAPK14ALDH1A1KDM4EAKR1B1
SCHEMBL12366263 0.87 PARP1 (0.40) MAPK14ALDH1A1KDM4EGAANPSR1
SCHEMBL12366177 0.87 TDP1 (0.39) TDP1AKR1B1HTR7
SCHEMBL12366145 0.86 TDP1 (0.40) TDP1MAPK14ALDH1A1AKR1B1KDM5A
SCHEMBL12366231 0.85 SRD5A2 (0.41) TDP1ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL12390332 0.85 LMNA (0.43) TDP1KDM4EHTR7
SCHEMBL12366639 0.84 SLC9A1 (0.42) HTR7
SCHEMBL12366297 0.84 TDP1 (0.39) TDP1MAPK14ALDH1A1KDM4EGAA
SCHEMBL12390223 0.84 NR3C2 (0.37) TDP1MAPK14ALDH1A1AKR1B1HPGD

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 378/4885MAPK14 3304/4885ALDH1A1 934/4885

“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.