SCHEMBL3898515

SCHEMBL3898515

CC(C)(C)OC(=O)C[C@H](O)C[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.36
AAK1 Q2M2I8 1/20 0.34
ADRB2 P07550 3/20 0.33
ADRB1 P08588 3/20 0.33
ADRB3 P13945 3/20 0.33
ABCB1 P08183 2/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PPARA Q07869 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9735825 0.87 MMP12 (0.35) ADRB2ADRB1ADRB3
SCHEMBL3911872 0.84 PTPRC (0.35) PTPRCAAK1ADRB2ADRB1ADRB3
SCHEMBL29666570 0.82 AAK1 (0.35) PTPRCAAK1ABCB1CA2CA9
SCHEMBL13345438 0.82 ADRB2 (0.38) ADRB2ADRB1ADRB3ABCB1
SCHEMBL7870035 0.82 ADRB2 (0.38) ADRB2ADRB1ADRB3ABCB1
SCHEMBL7870032 0.82 ADRB2 (0.38) ADRB2ADRB1ADRB3ABCB1
SCHEMBL29064066 0.80 MMP12 (0.37) ADRB2ADRB1ADRB3KDM4EALDH1A1
SCHEMBL9735944 0.80 MMP12 (0.37) ADRB2ADRB1ADRB3KDM4EALDH1A1
SCHEMBL28950487 0.80 TRPA1 (0.38) AAK1ABCB1
SCHEMBL28950485 0.80 TRPA1 (0.38) AAK1ABCB1

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
EP-1631533-B1 NOVEL PROCESS FOR STEREOSELECTIVE REDUCTION OF BETA-KETOESTERS BIOCON LTD (IN) 2009-03-11 EP disclosed
US-7232920-B2 Process for stereoselective reduction of β-ketoesters BIOCON (IN) 2007-06-19 US disclosed
EP-1631533-A4 NOVEL PROCESS FOR STEREOSELECTIVE REDUCTION OF BETA-KETOESTERS BIOCON LTD (IN) 2007-04-25 EP disclosed
EP-1631533-A1 NOVEL PROCESS FOR STEREOSELECTIVE REDUCTION OF BETA-KETOESTERS Biocon Limited (IN) 2006-03-08 EP disclosed
US-20040259946-A1 Novel process for stereoselective reduction of b ketoesters BIOCON LIMITED (IN) 2004-12-23 US disclosed
WO-2004094343-A1 NOVEL PROCESS FOR STEREOSELECTIVE REDUCTION OF ß-KETOESTERS BIOCON LIMITED (IN) 2004-11-04 WO disclosed
US-4977279-A Anticholesterol agents HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-11 US disclosed
US-4970313-A Optically active 3-demethylmevalonic acid derivatives, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-13 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-20040259946-A1 Novel process for stereoselective reduction of b ketoesters CBR3, CBR1, AKR1B1 PTPRC 1633/4885AAK1 2844/4885ADRB2 273/4885

“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.