SCHEMBL29784186

SCHEMBL29784186

CCOc1cc(Br)cc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.53
BRD4 O60885 1/20 0.50
BRD2 P25440 1/20 0.50
CREBBP Q92793 1/20 0.50
PLA2G4B P0C869 1/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL2279445 1.00 PLA2G2A (0.53) PLA2G2ABRD4BRD2CREBBPPLA2G4B
SCHEMBL2655120 0.88 PLA2G2A (0.65) PLA2G2ABRD4BRD2CREBBPPLA2G4B
SCHEMBL3184334 0.88 PLA2G2A (0.59) PLA2G2ABRD4BRD2CREBBPPLA2G4B
SCHEMBL14297573 0.84 PLA2G2A (0.71) PLA2G2APLA2G4BTP53TSHRKMT2A
SCHEMBL17823602 0.83 PLA2G2A (0.55) PLA2G2APLA2G4BTP53PKMTSHR
SCHEMBL30091972 0.83 PLA2G2A (0.55) PLA2G2APLA2G4BTP53PKMTSHR
SCHEMBL2176490 0.83 NR1H4 (0.48) PLA2G2ARXRARXRBKMT2AMEN1
SCHEMBL5051460 0.82 GSK3B (0.44) TP53TSHRKMT2AHSD17B10MEN1
SCHEMBL29173958 0.82 PARP10 (0.43) BRD4BRD2CREBBPTP53TSHR
SCHEMBL288382 0.82 BRD4 (0.53) BRD4BRD2CREBBPTP53SMN1; SMN2

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-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG PLA2G2A 646/4885BRD4 1025/4885BRD2 951/4885

“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.