SCHEMBL6501990

SCHEMBL6501990

CCOC(=O)Cc1cc(OC)cc(OC)c1C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DPP4 P27487 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.41
HSD17B2 P37059 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 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
SCHEMBL19476240 0.86 CYP3A4 (0.67) CYP3A4HPGDTDP1L3MBTL1SMN1; SMN2
SCHEMBL19462926 0.85 CYP3A4 (0.43) CYP3A4HPGDTDP1L3MBTL1DPP4
SCHEMBL13554532 0.85 CYP3A4 (0.63) CYP3A4HPGDTDP1L3MBTL1DPP4
SCHEMBL16071928 0.81 DPP4 (0.45) CYP3A4HPGDTDP1L3MBTL1DPP4
SCHEMBL7045496 0.81 CYP3A4 (0.45) CYP3A4HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4106403 0.80 CYP3A4 (0.71) CYP3A4HPGDTDP1L3MBTL1DPP4
SCHEMBL17779160 0.79 CYP3A4 (0.74) CYP3A4HPGDTDP1L3MBTL1DPP4
SCHEMBL19463008 0.79 PARP15 (0.48) CYP3A4HPGDTDP1L3MBTL1MEN1
SCHEMBL19462919 0.79 MAOB (0.46) CYP3A4HPGDTDP1L3MBTL1MEN1
SCHEMBL3890306 0.78 SMN1; SMN2 (0.52) CYP3A4L3MBTL1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043411-A1 Process for preparing homophthalate derivatives TJGEL, LLC 2005-02-24 US disclosed
US-6797838-B2 Process for preparing homophthalate derivatives ILEX PRODUCTS, INC. 2004-09-28 US disclosed
EP-1404662-A2 PROCESS FOR PREPARING ISOCOUMARINS Ilex Products, Inc. (US) 2004-04-07 EP disclosed
US-20040024240-A1 Process for preparing homophthalate derivatives GENZYME CORPORATION 2004-02-05 US disclosed
US-6664401-B2 Reacting a isochroman-1,3-dione with a carbonyl compound whose carbonyl group is substituted with an acyl activating group, in the presence of a base and a solvent; use making anticancer agents for example ILEX PRODUCTS, INC. 2003-12-16 US disclosed
US-20030105340-A1 Process for preparing isocoumarins GENZYME CORPORATION 2003-06-05 US disclosed
WO-2003004486-A2 PROCESS FOR PREPARING ISOCOUMARINS ILEX PRODUCTS, INC. (US) 2003-01-16 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 (3 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-20030105340-A1 Process for preparing isocoumarins DHPS, IDH2, IDH1 CYP3A4 32/4885HPGD 145/4885TDP1 4593/4885
US-20050043411-A1 Process for preparing homophthalate derivatives HPD, HAAO, PAH CYP3A4 9/4885HPGD 191/4885TDP1 3580/4885
US-20040024240-A1 Process for preparing homophthalate derivatives HPD, HAAO, PAH CYP3A4 9/4885HPGD 191/4885TDP1 3580/4885

“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.