SCHEMBL5766531

SCHEMBL5766531

CC(C)[Si](OCC1C=CC(=O)O1)(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 1/20 0.34
XPO1 O14980 1/20 0.31
TUBAL3 A6NHL2 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBA8 Q9NY65 1/20 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
SCHEMBL6338491 0.77 DUT (0.43)
SCHEMBL12150952 0.77 DUT (0.43)
SCHEMBL981247 0.74
SCHEMBL6726590 0.73 DUT (0.31)
Methyl Alcohol SCHEMBL9569297 0.72 NLRP3 (0.36) XPO1TUBAL3TUBA3CTUBA1BTUBA4A
SCHEMBL15610884 0.69 SMYD2 (0.42) SMYD2
SCHEMBL6336930 0.69 NLRP3 (0.59)
SCHEMBL6337951 0.69 NLRP3 (0.59)
SCHEMBL6338622 0.69 NLRP3 (0.41)
SCHEMBL17234528 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667994-A1 QUINOLONE ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050119231-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-06-02 US disclosed
US-20050107423-A1 Quinolone antibacterial agents ELLSWORTH EDMUND L (US) 2005-05-19 US disclosed
WO-2005026154-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
WO-2005026165-A1 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 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 (2 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-20050119231-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 SMYD2 4383/4885XPO1 327/4885TUBAL3 385/4885
US-20050107423-A1 Quinolone antibacterial agents NQO2, MRPL21, TOP1 SMYD2 4383/4885XPO1 327/4885TUBAL3 385/4885

“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.