SCHEMBL12390109

SCHEMBL12390109

COC(=O)c1ccc2c(c1)C(c1cccc(OC)c1F)=CCC2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.40
▸ PDK2 Q15119 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ HCRTR1 O43613 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 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
SCHEMBL12390118 0.90 MRGPRX4 (0.45) MAPTRAB9ASMN1; SMN2ERN1L3MBTL1
SCHEMBL12365405 0.89 MAPK14 (0.41) MAPK14PDK2RAB9AKMT2AHCRTR1
SCHEMBL12389756 0.89 MAPT (0.45) MAPK14PDK2MAPTRAB9ASMN1; SMN2
SCHEMBL12365830 0.88 PDK2 (0.40) MAPK14PDK2MAPTHCRTR1L3MBTL1
SCHEMBL12365424 0.87 MAPK14 (0.41) MAPK14PDK2ALDH1A1
SCHEMBL12389840 0.86 MAPT (0.41) MAPK14PDK2MAPTRAB9ASMN1; SMN2
SCHEMBL12389153 0.86 MAPK14 (0.42) MAPK14PDK2MAPTRAB9ASMN1; SMN2
SCHEMBL12389781 0.85 MAPK14 (0.48) MAPK14MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL12389086 0.85 MAPK14 (0.45) MAPK14MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL12390275 0.84 PDK2 (0.42) MAPK14PDK2RAB9AKMT2AHCRTR1

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
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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 MAPK14 3304/4885PDK2 3920/4885MAPT 463/4885

“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.

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