SCHEMBL305028

SCHEMBL305028

CCC(=Cc1ccccc1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
EPHX2 P34913 4/20 0.38
PPARG P37231 3/20 0.38
TBXAS1 P24557 2/20 0.35
ALOX5 P09917 3/20 0.32
PTGES O14684 2/20 0.32
LTB4R Q15722 3/20 0.32
LTB4R2 Q9NPC1 3/20 0.32
PSEN1 P49768 2/20 0.30

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
SCHEMBL306004 0.81 TBXAS1 (0.50) EPHX2PPARGTBXAS1LTB4RLTB4R2
SCHEMBL305027 0.81 TBXAS1 (0.50) EPHX2PPARGTBXAS1LTB4RLTB4R2
SCHEMBL875044 0.79 BACE1 (0.39) BACE1
SCHEMBL4603138 0.79 BACE1 (0.51) BACE1TBXAS1
SCHEMBL4603145 0.79 BACE1 (0.51) BACE1TBXAS1
SCHEMBL305026 0.77 BACE1 (0.47) BACE1TBXAS1
SCHEMBL28343924 0.75 ALDH1A1 (0.35) BACE1
SCHEMBL1564661 0.74 HTT (0.44)
SCHEMBL4822404 0.72 PDCD1 (0.34) BACE1
SCHEMBL7955217 0.72 EPHX2 (0.41) EPHX2PPARGTBXAS1ALOX5PTGES

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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA BACE1 59/4885EPHX2 3473/4885PPARG 1435/4885

“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.