SCHEMBL13844770

SCHEMBL13844770

CCOc1ccc(CN2C(=O)CCCN2CCC(C)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.52
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PTGER4 P35408 3/20 0.41
PTGER2 P43116 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
GRM2 Q14416 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL13844703 0.87 PTGER4 (0.41) ACACBSMN1; SMN2PTGER4PTGER2POLB
SCHEMBL13844792 0.85 PTGER2 (0.51) PTGER4PTGER2HRH3KMT2A
SCHEMBL13844771 0.82 PTGER2 (0.41) PTGER4PTGER2
SCHEMBL13844825 0.81 GRM2 (0.42) ACACBKDM4ESMN1; SMN2HRH3ALDH1A1
SCHEMBL13844828 0.81 LMNA (0.41) ACACBKDM4ESMN1; SMN2HRH3ALDH1A1
SCHEMBL13844684 0.79 PTGER2 (0.41) PTGER4PTGER2KMT2ALMNA
SCHEMBL13844763 0.78 ALDH1A1 (0.43) KDM4ESMN1; SMN2PTGER4PTGER2HRH3
SCHEMBL13844767 0.78 PTGER4 (0.44) PTGER4PTGER2LMNA
SCHEMBL13844705 0.77 PTGER4 (0.41) ACACBSMN1; SMN2PTGER4PTGER2POLB
SCHEMBL13844768 0.76 PTGER2 (0.47) PTGER4PTGER2LMNA

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-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 ACACB 3736/4885KDM4E 1919/4885SMN1; SMN2 951/4885

“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.