SCHEMBL2687353

SCHEMBL2687353

CC(C)C[Si](C)(COC(=O)c1ccccc1)COC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
PKM P14618 1/20 0.44
F2 P00734 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2687492 0.83 LMNA (0.58) ALDH1A1LMNATDP1TSHRMAPK1
SCHEMBL2689216 0.80 LMNA (0.58) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL29050130 0.80 LMNA (0.58) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL202613 0.78 TSHR (0.46) ALDH1A1LMNATDP1ADRB2ADRB1
Benzoic Acid 2-Methylpropyl Ester SCHEMBL20530394 0.77 TSHR (0.69) ALDH1A1LMNATDP1ADRB2ADRB1
Benzoic Acid 2-Methylpropyl Ester SCHEMBL298176 0.77 TSHR (0.69) ALDH1A1LMNATDP1ADRB2ADRB1
Benzoic Acid 2-Methylpropyl Ester SCHEMBL28242226 0.75 TSHR (0.67) ALDH1A1LMNATDP1ADRB2ADRB1
Benzoic Acid 2-Methylpropyl Ester SCHEMBL27827529 0.75 TSHR (0.67) ALDH1A1LMNATDP1ADRB2ADRB1
SCHEMBL15070606 0.74 LMNA (0.55) ALDH1A1LMNATDP1ADRB2ADRB1
Benzoic Acid 1-(3-Methyl)Butyl Ester SCHEMBL132524 0.74 LMNA (0.65) ALDH1A1LMNATDP1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350143-B1 PROCATALYST COMPOSITION MULTIPLE INTERNAL DONOR HAVING SILYL ESTER AND METHOD GRACE W R & CO (US) 2016-02-17 EP disclosed
EP-2350144-B1 PROCATALYST COMPOSITION INCLUDING SILYL ESTER INTERNAL DONOR AND METHOD GRACE W R & CO (US) 2015-07-15 EP disclosed
US-8222357-B2 Procatalyst composition with multiple internal donor having silyl ester and method UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY LLC (US) 2012-07-17 US disclosed
US-8088872-B2 Procatalyst composition including silyl ester internal donor and method DOW GLOBAL TECHNOLOGIES LLC (US) 2012-01-03 US disclosed
US-20100130710-A1 Procatalyst Composition with Multiple Internal Donor Having Silyl Ester and Method W. R. GRACE & CO.-CONN. 2010-05-27 US disclosed
US-20100130709-A1 Procatalyst Composition Including Silyl Ester Internal Donor and Method W. R. GRACE & CO.-CONN. 2010-05-27 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-20100130709-A1 Procatalyst Composition Including Silyl Ester Internal Donor and Method GNE, NANS, ELANE ALDH1A1 677/4885LMNA 1109/4885TDP1 2949/4885

“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.