SCHEMBL5487038

SCHEMBL5487038

O=C(O)CC1C2CC3CC(C2)CC1(O)C3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SLC6A12 P48065 3/20 0.33
SLC6A11 P48066 3/20 0.33
SLC6A13 Q9NSD5 3/20 0.33
GRM2 Q14416 2/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
EPHX2 P34913 4/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.32
EPHX1 P07099 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX5 P09917 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL30477996 0.78 HSD11B1 (0.46) HSD11B1ALDH1A1KDM4EHTTGRM2
SCHEMBL5810447 0.77 HSD11B1 (0.44) HSD11B1ALDH1A1KDM4EHTTSLC6A12
SCHEMBL1592795 0.75 GRIN2D (0.31) ALDH1A1EPHX2
SCHEMBL677091 0.74 HSD11B1 (0.33) HSD11B1ALDH1A1EPHX2
SCHEMBL28732515 0.72 CD81 (0.35) THRBCYP2C9NPSR1
SCHEMBL677864 0.71 KMT2A (0.32) HSD11B1EPHX2
SCHEMBL8098594 0.71 HSD11B1 (0.61) HSD11B1SLC6A12SLC6A11SLC6A13GRM2
SCHEMBL19151709 0.70 HSD11B1 (0.38) HSD11B1
Acrylic Acid SCHEMBL28717241 0.70 NPSR1 (0.34) THRBCYP2C9EPHX2NPSR1
SCHEMBL6742682 0.69 THRB (0.36) HSD11B1ALDH1A1KDM4EHTTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120276600-A1 Process For Preparing Dipeptidyl Peptidase IV Inhibitors And Intermediates Therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-01 US disclosed
EP-1581487-A4 METHODS AND COMPOUNDS PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL MYERS SQUIBB CO (US) 2007-08-08 EP disclosed
EP-1581487-A2 METHODS AND COMPOUNDS PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004052850-A2 METHODS AND COMPOUNDS PRODUCING DIPEPTIDYL PEPTIDASE IV INHIBITORS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 WO 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-20120276600-A1 Process For Preparing Dipeptidyl Peptidase IV Inhibitors And Intermediates Therefor DNPEP, DPP4, DPP8 HSD11B1 1075/4885ALDH1A1 403/4885KDM4E 1415/4885

“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.