SCHEMBL12366182

SCHEMBL12366182

CC1C=C(c2cc(F)c(F)cc2F)c2cc(C(=O)O)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
DPP4 P27487 1/20 0.37
MAPK1 P28482 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.35
RARB P10826 2/20 0.33
AKR1B1 P15121 1/20 0.33
KDM4E B2RXH2 3/20 0.32
GAA P10253 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TTR P02766 2/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
POLB P06746 1/20 0.31
PTPRC P08575 2/20 0.31
TSHR P16473 1/20 0.31
RARA P10276 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
SCHEMBL12366186 0.90 TDP1 (0.41) TDP1DPP4MAPK1RAB9ALMNA
SCHEMBL12365914 0.87 KDM4A (0.40) TDP1MAPK1RAB9ALMNAHTT
SCHEMBL12366145 0.87 TDP1 (0.40) TDP1MAPK1RAB9ALMNAHTT
SCHEMBL12365573 0.86 TDP1 (0.39) TDP1MAPK1RAB9ALMNAHTT
SCHEMBL12366031 0.86 TDP1 (0.39) TDP1MAPK1RAB9ALMNAHTT
SCHEMBL12366178 0.86 ALPL (0.37) DPP4RAB9AALDH1A1KDM4EGAA
SCHEMBL12365912 0.86 TDP1 (0.41) TDP1MAPK1RAB9ALMNAHTT
SCHEMBL12366009 0.85 SRD5A2 (0.40) TDP1TTRTSHR
SCHEMBL12366209 0.85 TDP1 (0.40) TDP1DPP4MAPK1RAB9ALMNA
SCHEMBL12366143 0.84 TDP1 (0.39) TDP1DPP4MAPK1RAB9ALMNA

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 2 patents. 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
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 378/4885DPP4 2534/4885MAPK1 3710/4885

“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.