SCHEMBL5161440

SCHEMBL5161440

CC(C)(C)OC(=O)CON1CCC[C@H]1c1cc(CCC(=O)OCc2ccccc2)on1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.36
RECQL P46063 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KLK7 P49862 1/20 0.34
CTSL P07711 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PARP1 P09874 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL14371727 0.77 UCHL1 (0.39) GPR119MAPK1L3MBTL1KLK7MEN1
Hydrochloric Acid SCHEMBL5160588 0.71 HTT (0.37) MAPK1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5158304 0.67 SMN1; SMN2 (0.47) MAPK1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL3578383 0.67 SMN1; SMN2 (0.47) MAPK1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL7481567 0.67 FFAR1 (0.45) NPC1RAB9APARP1AADATHRH3
SCHEMBL7332893 0.67 ALDH1A1 (0.56) MAPK1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5158343 0.66 FKBP1A (0.52) ALDH1A1
SCHEMBL25422192 0.65 ALDH1A1 (0.49) MAPK1L3MBTL1ALDH1A1CTSLMEN1
SCHEMBL12004770 0.65 ALDH1A1 (0.49) MAPK1L3MBTL1ALDH1A1CTSLMEN1
SCHEMBL2811174 0.65 ALDH1A1 (0.49) MAPK1L3MBTL1ALDH1A1CTSLMEN1

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-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 SCD 3538/4885RECQL 4884/4885GPR119 341/4885

“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.