SCHEMBL12365045

SCHEMBL12365045

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.38
▸ MAPT P10636 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 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
SCHEMBL12389840 0.93 MAPT (0.41) MAPTRAB9AL3MBTL1LOXL2SMN1; SMN2
SCHEMBL12365049 0.90 LMNA (0.41) IGF1RMAPTRAB9ALMNASMN1; SMN2
SCHEMBL12389153 0.88 MAPK14 (0.42) MAPTRAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12365805 0.87 MAPK14 (0.41) MAPTRAB9ALOXL2SMN1; SMN2MEN1
SCHEMBL12365802 0.87 IL2 (0.42) RAB9ALOXL2KMT2AMAPK14NPC1
SCHEMBL12366709 0.85 HTR2B (0.46) MAPTRAB9ASMN1; SMN2
SCHEMBL12365304 0.85 ALDH1A1 (0.35) MAPTRAB9ALMNALOXL2SMN1; SMN2
SCHEMBL12389756 0.84 MAPT (0.45) MAPTRAB9AL3MBTL1SMN1; SMN2MEN1
SCHEMBL12389841 0.82 LMNA (0.45) MAPTRAB9ALMNASMN1; SMN2NPC1
SCHEMBL12364981 0.82 PDK2 (0.43) MAPTRAB9AL3MBTL1BRD4HPGD

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 IGF1R 2319/4885MAPT 463/4885RAB9A 430/4885

“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