SCHEMBL4565697

SCHEMBL4565697

O=C(O)[C@H]1CCC[C@@]1(O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.36
GRM2 Q14416 3/20 0.36
GRM3 Q14832 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
GRM8 O00222 3/20 0.36
GRM6 O15303 3/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
GRM5 P41594 1/20 0.36
MTOR P42345 1/20 0.36
GRM1 Q13255 1/20 0.36
PLCB1 Q9NQ66 1/20 0.36
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL4565810 1.00 GRM4 (0.36) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL4565617 0.93 GRM4 (0.35) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL4565712 0.93 GRM4 (0.35) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL2453547 0.93 GRM4 (0.35) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL8048516 0.79 HDAC4 (0.33) SLC1A2SLC1A1
SCHEMBL988351 0.74 GRM4 (0.38) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL3227341 0.74 CYP1A2 (0.31) CYP1A2
SCHEMBL8409821 0.74 HDAC8 (0.36) HSD11B1
Hydrochloric Acid SCHEMBL25405452 0.73 GRM4 (0.36) GRM4GRM2GRM3CYP1A2CYP2C19
SCHEMBL7439240 0.73 CYP1A2 (0.37) CYP1A2CYP2C19LMNAMTOR

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-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR CAMPBELL DAVID ALAN 2009-12-31 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-20090325889-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, HPN, PRSS1 GRM4 4683/4885GRM2 4827/4885GRM3 4455/4885

“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.