SCHEMBL6402276

SCHEMBL6402276

CCCCOC(=O)N1C(=O)[C@H](O[Si](CC)(CC)CC)[C@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
TSHR P16473 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
BCHE P06276 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 3/20 0.38
CYP3A4 P08684 2/20 0.38
PPARG P37231 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6853219 1.00 ELANE (0.44) ELANETSHRL3MBTL1TDP1BCHE
SCHEMBL6853215 1.00 ELANE (0.44) ELANETSHRL3MBTL1TDP1BCHE
SCHEMBL6853211 1.00 ELANE (0.44) ELANETSHRL3MBTL1TDP1BCHE
SCHEMBL5743187 0.89 ELANE (0.49) ELANETSHRALDH1A1MEN1KMT2A
SCHEMBL6860152 0.89 ELANE (0.47) ELANETSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL6860155 0.89 ELANE (0.47) ELANETSHRALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7777570 0.87 ELANE (0.43) ELANETSHRL3MBTL1TDP1BCHE
SCHEMBL6853184 0.86 ELANE (0.42) ELANETSHRTDP1ALDH1A1MEN1
SCHEMBL4629769 0.85 ELANE (0.45) ELANETSHRL3MBTL1TDP1BCHE
SCHEMBL9037300 0.84 ELANE (0.52) ELANEALDH1A1CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250844-A1 Methods of treating cancer using C-4 carbonate taxanes BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 US disclosed
US-6916942-B2 Process for the preparation of C-4 carbonate taxanes BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 US disclosed
US-20040225009-A1 Process for the preparation of C-4 carbonate taxanes BRISTOL-MYERS SQUIBB COMPANY 2004-11-11 US disclosed
EP-1251846-B1 C-4 CARBONATE TAXANES BRISTOL MYERS SQUIBB CO (US) 2004-08-11 EP disclosed
US-6750246-B1 NOVEL ORALLY ACTIVE PACLITAXEL DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2004-06-15 US disclosed
EP-1251846-A4 C-4 CARBONATE TAXANES BRISTOL MYERS SQUIBB CO (US) 2003-03-12 EP disclosed
EP-1251846-A1 C-4 CARBONATE TAXANES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-30 EP disclosed
WO-2001056565-A1 C-4 CARBONATE TAXANES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-09 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-20050250844-A1 Methods of treating cancer using C-4 carbonate taxanes CA4, CA14, CA13 ELANE 3506/4885TSHR 4384/4885L3MBTL1 3515/4885
US-20040225009-A1 Process for the preparation of C-4 carbonate taxanes CA4, CA14, CDK4 ELANE 4491/4885TSHR 4571/4885L3MBTL1 4669/4885

“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.