SCHEMBL6821722

SCHEMBL6821722

C[Si](C)(C)C#N.O=C(O)C(O)c1ccc(Br)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.40
DGAT1 O75907 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
FPR2 P25090 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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 0.87 DGAT1 (0.46) APLNRDGAT1CES2CES1FPR2
SCHEMBL6818451 0.77 CES2 (0.45) DGAT1CES2CES1FPR2ALDH1A1
SCHEMBL14720245 0.72 DGAT1 (0.53) APLNRDGAT1CES2CES1ALDH1A1
SCHEMBL1679175 0.72 PTGS1 (0.51) APLNRDGAT1FPR2MMP1MMP2
SCHEMBL1951553 0.72 LMNA (0.43) APLNRDGAT1CES2CES1FPR2
SCHEMBL15796547 0.72 DGAT1 (0.41) APLNRDGAT1CES2CES1ALDH1A1
SCHEMBL29658750 0.70 CES2 (0.66) CES2CES1ALDH1A1NPC1RAB9A
SCHEMBL1671151 0.70 CES2 (0.66) CES2CES1ALDH1A1NPC1RAB9A
SCHEMBL1671155 0.70 CES2 (0.66) CES2CES1ALDH1A1NPC1RAB9A
SCHEMBL14274718 0.70 APLNR (0.44) APLNRDGAT1FPR2ALDH1A1L3MBTL1

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 APLNR 4078/4885DGAT1 2370/4885CES2 1076/4885

“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.