SCHEMBL9910014

SCHEMBL9910014

COc1cc(C(=O)OCC(C)C)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.56
KMT2A Q03164 6/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
SCN1A P35498 2/20 0.55
SCN2A Q99250 2/20 0.55
SCN3A Q9NY46 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
THPO P40225 2/20 0.51
MTOR P42345 2/20 0.51
USP2 O75604 1/20 0.51
MEN1 O00255 3/20 0.50
HTT P42858 1/20 0.50
ABCC4 O15439 1/20 0.50

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
SCHEMBL25128874 0.91 TPMT (0.58) SLC29A1KMT2AKDM4EALDH1A1GAA
SCHEMBL11848930 0.89 SLC29A1 (0.55) SLC29A1KMT2AKDM4EALDH1A1GAA
SCHEMBL2612552 0.84 SLC29A1 (0.54) SLC29A1KMT2ASCN1ASCN2ASCN3A
SCHEMBL28969683 0.84 SLC29A1 (0.54) SLC29A1KMT2AKDM4EALDH1A1PKM
SCHEMBL2612567 0.84 PTPN1 (0.68) SLC29A1KMT2ASCN1ASCN2ASCN3A
SCHEMBL9681889 0.84 KMT2A (0.78) SLC29A1KMT2AKDM4EALDH1A1GAA
SCHEMBL13183860 0.83 TSHR (0.54) SLC29A1KMT2AKDM4EPKMSCN1A
SCHEMBL6580266 0.82 ALDH1A1 (0.59) KMT2AKDM4EALDH1A1GAAPKM
Ethyltrimethoxy Benzoate SCHEMBL4410910 0.81 KMT2A (0.66) SLC29A1KMT2AKDM4EALDH1A1PKM
SCHEMBL25128844 0.80 PTPN1 (0.45) SLC29A1KMT2AKDM4EALDH1A1GAA

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
CN-103819586-B A kind of catalyst system for olefinic polyreaction SINOPEC CORP. (CN) 2016-03-30 CN disclosed
CN-103304691-B A kind of catalyst system for olefinic polyreaction SINOPEC CORP. (CN) 2015-09-16 CN disclosed
CN-103819586-A Catalyst system for alkene polymerization reaction CHINA PETROLEUM & CHEMICAL 2014-05-28 CN disclosed
CN-103304691-A Catalyst system used for alkene polymerization CHINA PETROLEUM & CHEMICAL 2013-09-18 CN disclosed
US-20120231010-A1 VINPOCETINE AND EBURN AMONINE DERIVATIVES FOR PROMOTING BONE GROWTH OSTEOGENEX INC. (US) 2012-09-13 US disclosed
US-20120231010-A1 VINPOCETINE AND EBURN AMONINE DERIVATIVES FOR PROMOTING BONE GROWTH OSTEOGENEX INC. (US) 2012-09-13 US disclosed
US-8198292-B2 Vinpocetine and eburnamonine derivatives for promoting bone growth, treating renal damage and cancer, and devices thereof OSTEOGENEX, INC. (US) 2012-06-12 US disclosed
US-20100003324-A1 VINPOCETINE AND EBURN AMONINE DERIVATIVES FOR PROMOTING BONE GROWTH OSTEOGENEX INC. (US) 2010-01-07 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 (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-20120231010-A1 VINPOCETINE AND EBURN AMONINE DERIVATIVES FOR PROMOTING BONE GROWTH BMP6, ATP6V1B1, WNT1 SLC29A1 462/4885KMT2A 1675/4885KDM4E 1359/4885
US-20100003324-A1 VINPOCETINE AND EBURN AMONINE DERIVATIVES FOR PROMOTING BONE GROWTH BMP6, ATP6V1B1, WNT1 SLC29A1 462/4885KMT2A 1675/4885KDM4E 1359/4885

“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.