SCHEMBL6818451

SCHEMBL6818451

O=C(O)C(O)c1cc(Br)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.45
CES1 P23141 4/20 0.45
DGAT1 O75907 1/20 0.42
LMNA P02545 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
FPR2 P25090 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LDHA P00338 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL1951023 0.85 DGAT1 (0.46) CES2CES1DGAT1LMNAALDH1A1
SCHEMBL1668573 0.81 CES2 (0.66) CES2CES1LMNAMAPK1
SCHEMBL1668569 0.81 CES2 (0.66) CES2CES1LMNAMAPK1
SCHEMBL31736255 0.81 CES2 (0.66) CES2CES1LMNAMAPK1
SCHEMBL3848904 0.80 DGAT1 (0.41) CES2CES1DGAT1LMNAALDH1A1
SCHEMBL17847415 0.80 DGAT1 (0.44) DGAT1LMNAALDH1A1NPC1RAB9A
SCHEMBL23973184 0.79 CES2 (0.46) CES2CES1LMNAALDH1A1SMN1; SMN2
SCHEMBL31435516 0.79 CES2 (0.46) CES2CES1LMNAALDH1A1SMN1; SMN2
SCHEMBL17321033 0.78 CES2 (0.45) CES2CES1LMNANPC1RAB9A
SCHEMBL6821722 0.77 APLNR (0.40) CES2CES1DGAT1LMNAALDH1A1

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CES2 1076/4885CES1 2190/4885DGAT1 2370/4885

“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.