SCHEMBL7482879

SCHEMBL7482879

CC(C)(C)[Si](C)(C)OCc1ccc2c(c1)C(=O)c1cccc(O)c1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 2/20 0.43
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TTR P02766 1/20 0.40
ELANE P08246 6/20 0.39
CTSG P08311 5/20 0.39
KDM4E B2RXH2 1/20 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
SCHEMBL7462323 0.75 MEN1 (0.68) MEN1KMT2AMAOAMAOBEPHX2
SCHEMBL840465 0.72 GABRA1 (0.45) KMT2AMAPTMAPK1LMNAALOX15
SCHEMBL7792651 0.71 MAOA (0.62) MEN1KMT2AMAOAMAOBEPHX2
SCHEMBL7478664 0.70 MEN1 (0.40) MEN1KMT2AMAOAMAOBEPHX2
SCHEMBL21962683 0.70 CA2 (0.44) MAOAMAOB
SCHEMBL7462411 0.70 MAOA (0.54) MEN1KMT2AMAOAMAOBEPHX2
SCHEMBL16610041 0.70 PTPN1 (0.53) MAOBALDH1A1MAPK1TSHRTDP1
SCHEMBL31371260 0.70 TUBB1 (0.51) MEN1KMT2ATSHRLMNAALOX15
SCHEMBL31371309 0.69 CYP4F2 (0.40) TSHRRECQLTUBB4ATUBBTUBA3C
SCHEMBL15152700 0.69 CYP4F2 (0.40) TSHRRECQLTUBB4ATUBBTUBA3C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023293-A4 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO INC (US) 2002-11-20 EP disclosed
US-6284753-B2 GRAMPOSITVE BACTERIA MERCK & CO., INC. 2001-09-04 US disclosed
US-6277843-B1 USEFUL AGAINST GRAMPOSITIVE BACTERIA, I.E., METHICILLIN RESISTANT STAPHYLOCOCCUS AUREUS, WITH REDUCED SIDE EFFECTS MERCK & CO., INC. 2001-08-21 US disclosed
US-20010011086-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. 2001-08-02 US disclosed
US-6207823-B1 ANTIBIOTIC; ANTIBIOTIC RESISTANT INFECTIONS MERCK & CO., INC. 2001-03-27 US disclosed
EP-1023293-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1999014217-A1 ARYLOXYMETHYL CARBAPENEM ANTIBACTERIALS MERCK & CO., INC. (US) 1999-03-25 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-20010011086-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT TOP1, NRDC, PAICS MEN1 2142/4885KMT2A 2756/4885MAOA 3688/4885

“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.