SCHEMBL4168964

SCHEMBL4168964

O=C(O)C12CCC3CC(CC3C1)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.36
HSD11B2 P80365 4/20 0.36
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
DGAT1 O75907 1/20 0.33

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
SCHEMBL3644747 0.85 HSD11B1 (0.43) HSD11B1HSD11B2ALDH1A1L3MBTL1HTT
SCHEMBL20952430 0.81 ALDH1A1 (0.47) HSD11B1ALDH1A1L3MBTL1HTTPKM
SCHEMBL25891422 0.78 HSD11B1 (0.41) HSD11B1ALDH1A1L3MBTL1HTTNPSR1
SCHEMBL25574064 0.77 HSD11B1 (0.36) HSD11B1HSD11B2
SCHEMBL7974713 0.76 HSD11B1 (0.39) HSD11B1ALDH1A1L3MBTL1HTTNPSR1
SCHEMBL24133558 0.75 ALDH1A1 (0.36) HSD11B1HSD11B2ALDH1A1HTTNPSR1
SCHEMBL1033879 0.75 HSD11B1 (0.40) HSD11B1HSD11B2ALDH1A1L3MBTL1HTT
SCHEMBL24133999 0.75 HSD11B1 (0.40) HSD11B1HSD11B2ALDH1A1L3MBTL1HTT
SCHEMBL31178076 0.75 GRM2 (0.31) NPSR1
SCHEMBL12517622 0.74 HSD11B1 (0.38) HSD11B1HSD11B2ALDH1A1L3MBTL1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2009-06-11 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-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors DPP4, DPP3, DPP7 HSD11B1 674/4885HSD11B2 901/4885ALDH1A1 202/4885

“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.