SCHEMBL12389153

SCHEMBL12389153

COC(=O)c1ccc2c(c1)C(c1c(F)cccc1OC)=CCC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 4/20 0.42
▸ PYGL P06737 1/20 0.39
▸ IL2 P60568 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTR5A P47898 1/20 0.36

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
SCHEMBL12389840 0.92 MAPT (0.41) MAPK14MAPTPDK2RAB9ASMN1; SMN2
SCHEMBL12365419 0.92 MAPK14 (0.43) MAPK14IL2PDK2RAB9AKMT2A
SCHEMBL12389723 0.90 LMNA (0.45) PYGLRAB9AHTR5A
SCHEMBL12365802 0.88 IL2 (0.42) MAPK14IL2PDK2RAB9AKMT2A
SCHEMBL12365045 0.88 IGF1R (0.38) MAPK14MAPTPDE4DRAB9ASMN1; SMN2
SCHEMBL12390297 0.87 MAPK14 (0.44) MAPK14PYGLMAPTPDK2RAB9A
SCHEMBL12365807 0.87 MAPK14 (0.47) MAPK14IL2MAPTPDK2MEN1
SCHEMBL12390109 0.86 MAPK14 (0.40) MAPK14MAPTPDK2RAB9ASMN1; SMN2
SCHEMBL13384432 0.86 AURKA (0.33) MAPTPDE4DRAB9ASMN1; SMN2PDE4A
SCHEMBL12365439 0.85 MAPK14 (0.43) MAPK14MAPTPDK2SMN1; SMN2MEN1

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 MAPK14 3304/4885PYGL 4343/4885IL2 3378/4885

“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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