SCHEMBL6818016

SCHEMBL6818016

O=C(O)C(=O)c1ccc(Br)cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.63
CES2 O00748 3/20 0.50
CES1 P23141 2/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 1/20 0.49
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
GALR3 O60755 1/20 0.44
GPR27 Q9NS67 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HPGD P15428 2/20 0.39

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
SCHEMBL6818422 0.88 DGAT1 (0.51) DGAT1CES2CES1ALDH1A1LMNA
SCHEMBL875504 0.84 ALDH1A1 (0.53) DGAT1CES2CES1ALDH1A1LMNA
SCHEMBL156346 0.83 DGAT1 (0.68) DGAT1CES2CES1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2349044 0.82 DGAT1 (0.66) DGAT1CES2CES1ALDH1A1LMNA
SCHEMBL4464312 0.81 DGAT1 (0.70) DGAT1CES2CES1ALDH1A1LMNA
SCHEMBL7715988 0.79 CES2 (0.79) CES2CES1ALDH1A1LMNANPC1
SCHEMBL29875641 0.79 ALDH1A1 (0.51) DGAT1CES2CES1ALDH1A1KMT2A
SCHEMBL6817932 0.78 DGAT1 (0.56) DGAT1CES2CES1ALDH1A1LMNA
SCHEMBL6817935 0.78 DGAT1 (0.56) DGAT1CES2CES1ALDH1A1LMNA
SCHEMBL23273666 0.78 DGAT1 (0.47) DGAT1CES2CES1ALDH1A1LMNA

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 DGAT1 2370/4885CES2 1076/4885CES1 2190/4885

“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.