SCHEMBL12366178

SCHEMBL12366178

COC(=O)c1ccc2c(c1)C(c1cc(F)c(F)cc1F)=CC(C)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.37
DPP4 P27487 2/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
MCL1 Q07820 1/20 0.37
NPC1 O15118 1/20 0.37
ALOX5 P09917 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
XDH P47989 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CASP3 P42574 1/20 0.35
PDK2 Q15119 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
SCHEMBL12389987 0.92 RAB9A (0.37) DPP4RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL12366180 0.91 MEN1 (0.40) ALPLRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL12366139 0.88 PARP1 (0.40) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12365859 0.88 MAPK14 (0.41) ALPLRAB9ASMN1; SMN2MAPTMEN1
SCHEMBL12365570 0.87 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12366033 0.87 MAPT (0.41) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12365856 0.87 NPC1 (0.45) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12366243 0.86 CA1 (0.40) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12366043 0.86 MAPT (0.38) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12366182 0.86 TDP1 (0.42) DPP4RAB9AMEN1KMT2APOLB

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 ALPL 4376/4885DPP4 2534/4885RAB9A 430/4885

“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.