SCHEMBL12365271

SCHEMBL12365271

COC(=O)c1ccc2c(c1)C(c1cc(F)ccc1C)=CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.46
▸ IL2 P60568 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TNF P01375 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NR2F2 P24468 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ KLF5 Q13887 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.37
▸ NPC1 O15118 2/20 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
SCHEMBL12365083 0.91 MAPK14 (0.48) MAPK14PARP1KDM4EMAPTMEN1
SCHEMBL12365406 0.89 MAPK14 (0.49) MAPK14PARP1KDM4EKDM4CMAPT
SCHEMBL12389147 0.88 TDP1 (0.42) MAPK14IL2NOTUMKDM4EMAPT
SCHEMBL12365864 0.87 MAPK14 (0.45) MAPK14PARP1KDM4EKDM4CMAPT
SCHEMBL12389086 0.87 MAPK14 (0.45) MAPK14PARP1MAPTKMT2ASMN1; SMN2
SCHEMBL12365438 0.87 MAPK14 (0.42) MAPK14IL2NOTUMALDH1A1PDK2
SCHEMBL12365404 0.87 MAPK14 (0.54) MAPK14PARP1MAPTLMNASMN1; SMN2
SCHEMBL12365272 0.87 MAPK14 (0.41) MAPK14KDM4CGAAHTR7ALDH1A1
SCHEMBL12365758 0.86 MEN1 (0.40) MAPK14KDM4EMAPTMEN1KMT2A
SCHEMBL12389781 0.85 MAPK14 (0.48) MAPK14PARP1KDM4EMAPTLMNA

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 3304/4885IL2 3378/4885PARP1 2039/4885

“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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