SCHEMBL12366197

SCHEMBL12366197

COC(=O)c1ccc2c(c1)C(c1ccc(F)c(F)c1)=CC(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
PARP1 P09874 1/20 0.36
PTGS2 P35354 1/20 0.36
RAB9A P51151 5/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
ALOX5 P09917 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPK14 Q16539 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
XDH P47989 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL12365858 0.88 PTGS1 (0.43) PARP1PTGS2RAB9AMEN1MAPT
SCHEMBL12366209 0.87 TDP1 (0.40) ERN1RAB9AMEN1KMT2A
SCHEMBL12366178 0.86 ALPL (0.37) PARP1RAB9AMEN1MAPTKMT2A
SCHEMBL12366139 0.84 PARP1 (0.40) PARP1RAB9AMEN1MAPTKMT2A
SCHEMBL12366160 0.83 ABL1 (0.41) PARP1PTGS2RAB9AMEN1MAPT
SCHEMBL12365206 0.83 PTGS2 (0.46) PARP1PTGS2RAB9AMEN1MAPT
SCHEMBL12366033 0.83 MAPT (0.41) RAB9AMEN1MAPTKMT2ANPC1
SCHEMBL12366124 0.82 RAB9A (0.40) ERN1RAB9AMEN1MAPTKMT2A
SCHEMBL12366024 0.82 MAPT (0.38) PARP1RAB9AMEN1MAPTKMT2A
SCHEMBL12365856 0.82 NPC1 (0.45) PTGS2RAB9AMEN1MAPTKMT2A

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 ERN1 4736/4885PARP1 2039/4885PTGS2 2942/4885

“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.