SCHEMBL821499

SCHEMBL821499

CC(C)CC(C)(Br)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
FPR2 P25090 1/20 0.40
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
HIF1A Q16665 1/20 0.33
MMP8 P22894 1/20 0.33
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL5172333 0.83 TSHR (0.33) GRM2GRM3FPR2TSHRALDH1A1
SCHEMBL2474898 0.77 GRM2 (0.41) GRM2GRM3FPR2ALDH1A1GAA
SCHEMBL11337283 0.74 CYP2C19 (0.48) GRM2GRM3FPR2TSHRALDH1A1
SCHEMBL16824156 0.74 GRM2 (0.38) GRM2GRM3FPR2TSHRALDH1A1
SCHEMBL6058507 0.74 MMP8 (0.44) GRM2GRM3FPR2TSHRALDH1A1
SCHEMBL301722 0.74 ACACB (0.40) GRM2GRM3FPR2TSHRALDH1A1
SCHEMBL6120645 0.73 TSHR (0.42) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL8495466 0.72 TSHR (0.43) GRM2GRM3FPR2TSHRALDH1A1
SCHEMBL3248330 0.72 TSHR (0.43) GRM2GRM3FPR2TSHRALDH1A1
SCHEMBL3565109 0.72 TSHR (0.43) GRM2GRM3FPR2TSHRALDH1A1

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
EP-2391598-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF CHOLINE SALT OF FENOFIBRIC ACID AND ITS NOVEL POLYMORPH Alembic Limited (IN) 2011-12-07 EP disclosed
US-20110288331-A1 PROCESS FOR THE PREPARATION OF CHOLINE SALT OF FENOFIBRIC ACID AND ITS NOVEL POLYMORPH ALEMBIC PHARMACEUTICALS LIMITED (IN) 2011-11-24 US disclosed
WO-2010086700-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF CHOLINE SALT OF FENOFIBRIC ACID AND ITS NOVEL POLYMORPH ALEMBIC LIMITED (IN) 2010-08-05 WO disclosed
EP-0582441-A1 Processes for the preparation of tyramine derivatives CHEMAGIS LTD. (IL) 1994-02-09 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-20110288331-A1 PROCESS FOR THE PREPARATION OF CHOLINE SALT OF FENOFIBRIC ACID AND ITS NOVEL POLYMORPH CHKB, HMGCR, CEL GRM2 3318/4885GRM3 3322/4885FPR2 2674/4885

“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.