SCHEMBL6507929

SCHEMBL6507929

COc1cc(OC)c(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CDC25B P30305 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.44

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
SCHEMBL15440287 0.88 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1KDM4EALDH1A1HPGD
SCHEMBL466144 0.88 CYP3A4 (0.60) SMN1; SMN2USP2CYP3A4MAPK1KDM4E
SCHEMBL12135841 0.87 GAA (0.51) SMN1; SMN2USP2CYP3A4MAPK1KDM4E
SCHEMBL4844145 0.84 CYP3A4 (0.46) SMN1; SMN2USP2CYP3A4MAPK1KDM4E
SCHEMBL4841792 0.83 NPC1 (0.62) SMN1; SMN2CYP3A4MAPK1ALDH1A1HPGD
SCHEMBL9806970 0.82 HTT (0.52) SMN1; SMN2USP2CYP3A4MAPK1ALDH1A1
SCHEMBL1651653 0.81 KDM4E (0.49) SMN1; SMN2USP2CYP3A4MAPK1KDM4E
SCHEMBL4847814 0.81 KDM4E (0.53) SMN1; SMN2KDM4EALDH1A1HPGDLCK
SCHEMBL31208074 0.81 CA12 (0.55) SMN1; SMN2USP2CYP3A4MAPK1KDM4E
SCHEMBL4959972 0.81 CA12 (0.55) SMN1; SMN2USP2CYP3A4MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103086947-A Phthalimide compounds with antiangiogenic activity and purpose thereof ZHAO QINGCHUN 2013-05-08 CN disclosed
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
US-4755579-A Autoaccelerated organopolysiloxane elastomers RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-07-05 US disclosed
US-4584256-A AGING RESISTANCE RHONE-POULENC SYSTEMES (FR) 1986-04-22 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 (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 SMN1; SMN2 4741/4885USP2 2444/4885CYP3A4 32/4885
US-20050043411-A1 Process for preparing homophthalate derivatives HPD, HAAO, PAH SMN1; SMN2 4831/4885USP2 664/4885CYP3A4 9/4885
US-20040024240-A1 Process for preparing homophthalate derivatives HPD, HAAO, PAH SMN1; SMN2 4831/4885USP2 664/4885CYP3A4 9/4885

“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.