SCHEMBL13744934

SCHEMBL13744934

CCC(=O)N(C)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
SIGMAR1 Q99720 1/20 0.40
HSD11B1 P28845 1/20 0.34
FASN P49327 1/20 0.32
BRD4 O60885 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.31
NPBWR1 P48145 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL14712982 0.91
SCHEMBL11892671 0.85 ALDH1A1 (0.52) ALDH1A1SIGMAR1L3MBTL1KMT2AMEN1
SCHEMBL6392070 0.83 ALDH1A1 (0.55) ALDH1A1SIGMAR1L3MBTL1KMT2AMEN1
SCHEMBL13744440 0.82 ALDH1A1 (0.39) ALDH1A1SIGMAR1BRD4L3MBTL1KMT2A
SCHEMBL14175000 0.81 SIGMAR1 (0.36) ALDH1A1SIGMAR1L3MBTL1
SCHEMBL6608940 0.81 ALDH1A1 (0.58) ALDH1A1SIGMAR1L3MBTL1KMT2AMEN1
SCHEMBL24448729 0.80 ALDH1A1 (0.35) ALDH1A1SIGMAR1HSD11B1KMT2AMEN1
SCHEMBL24723398 0.79 HSD11B1 (0.39) ALDH1A1SIGMAR1HSD11B1L3MBTL1KMT2A
SCHEMBL14174999 0.79 ALDH1A1 (0.37) ALDH1A1SIGMAR1BRD4KMT2AMEN1
SCHEMBL13745080 0.79 MEN1 (0.41) ALDH1A1SIGMAR1L3MBTL1KMT2AMEN1

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-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 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-20090209511-A1 Benzofuran Derivatives F12, F2, F3 ALDH1A1 693/4885SIGMAR1 781/4885HSD11B1 1036/4885

“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.