SCHEMBL12365404

SCHEMBL12365404

COC(=O)c1ccc2c(c1)C(c1ccc(F)cc1F)=CCC2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 15/20 0.54
▸ ALPL P05186 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL12365406 0.91 MAPK14 (0.49) MAPK14NPC1LMNAMAPTRAB9A
SCHEMBL12365083 0.89 MAPK14 (0.48) MAPK14NPC1LMNAMAPTRAB9A
SCHEMBL12365328 0.89 MAPK14 (0.44) MAPK14NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12365312 0.88 MAPK14 (0.48) MAPK14NPC1LMNAMAPTRAB9A
SCHEMBL12389781 0.88 MAPK14 (0.48) MAPK14NPC1LMNAMAPTRAB9A
SCHEMBL12365301 0.88 MAPK14 (0.43) MAPK14LMNAMAPT
SCHEMBL12365372 0.88 MAPK14 (0.43) MAPK14NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL12365331 0.88 MAPK14 (0.43) MAPK14ALPLMAPTSMN1; SMN2
SCHEMBL12365271 0.87 MAPK14 (0.46) MAPK14NPC1LMNAMAPTRAB9A
SCHEMBL12365389 0.87 MAPK14 (0.45) MAPK14MAPTSMN1; SMN2

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 MAPK14 3304/4885ALPL 4376/4885NPC1 1519/4885

“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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