SCHEMBL12365476

SCHEMBL12365476

CCc1ccccc1C1=CCCc2ccc(C(=O)OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TRPA1 O75762 3/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ PTPRF P10586 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CDC25B P30305 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
SCHEMBL12365063 0.92 PDK2 (0.41) PDK2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL12365357 0.89 LMNA (0.39) PDK2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL12389660 0.89 PDK2 (0.39) PDK2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL13384418 0.89 PDK2 (0.39) PDK2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL12365479 0.88 PDK2 (0.38) PDK2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL12365490 0.86 SRD5A2 (0.47) PDK2KDM4EALDH1A1HPGDLMNA
SCHEMBL12364981 0.85 PDK2 (0.43) PDK2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL12365069 0.85 PDK2 (0.43) PDK2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL12389769 0.85 CREBBP (0.40) PDK2KDM4EALDH1A1HPGDTSHR
SCHEMBL12365000 0.84 MAPK14 (0.43) PDK2L3MBTL1KDM4EALDH1A1HPGD

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 3 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
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 PDK2 3920/4885L3MBTL1 4302/4885KDM4E 1455/4885

“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.

Send feedback