SCHEMBL12365328

SCHEMBL12365328

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.44
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP46A1 Q9Y6A2 1/20 0.36
▸ PDK2 Q15119 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ IL2 P60568 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 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
SCHEMBL12365404 0.89 MAPK14 (0.54) MAPK14SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL12365333 0.88 TDP1 (0.42) MAPK14TDP1CYP46A1PDK2SMN1; SMN2
SCHEMBL12365372 0.87 MAPK14 (0.43) MAPK14TDP1SMN1; SMN2ATMNPC1
SCHEMBL12365301 0.87 MAPK14 (0.43) MAPK14PDK2ALDH1A1NPSR1MAPT
SCHEMBL12365331 0.87 MAPK14 (0.43) MAPK14PDK2SMN1; SMN2ALDH1A1ATM
SCHEMBL12365339 0.87 JAK2 (0.40) MAPK14SMN1; SMN2ALDH1A1RAB9AHDAC8
SCHEMBL12365679 0.86 MAPT (0.42) MAPK14TDP1CYP46A1SMN1; SMN2ALDH1A1
SCHEMBL12365389 0.86 MAPK14 (0.45) MAPK14PDK2SMN1; SMN2ALDH1A1ATM
SCHEMBL12389147 0.86 TDP1 (0.42) MAPK14TDP1SMN1; SMN2ALDH1A1NPC1
SCHEMBL12364995 0.86 PDK2 (0.45) MAPK14PDK2SMN1; SMN2ALDH1A1NPC1

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 3304/4885TDP1 378/4885CYP46A1 1249/4885

“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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