SCHEMBL6506991

SCHEMBL6506991

C=CCc1c(OC)cc(OC)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
PTGS1 P23219 2/20 0.40
PTPN1 P18031 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
AR P10275 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
FLT3 P36888 1/20 0.37

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
SCHEMBL7799274 0.81 PTPN1 (0.41) POLBALDH1A1PTPN1CYP3A4PARP15
SCHEMBL1931659 0.81 POLB (0.53) POLBALDH1A1PPARGPPARDPPARA
SCHEMBL7828001 0.76 CYP3A4 (0.50) POLBALDH1A1PPARGPPARDPPARA
SCHEMBL6465454 0.73 CYP3A4 (0.47) ALDH1A1CYP3A4PARP15PARP10
SCHEMBL8199081 0.73 ALDH1A1 (0.45) POLBALDH1A1CYP3A4PARP15PARP10
SCHEMBL11506306 0.72 PTPN1 (0.41) POLBALDH1A1PTGS1PTPN1CYP3A4
SCHEMBL28975003 0.71 KDM4E (0.41) POLBALDH1A1PARP10
SCHEMBL6201398 0.71 PTPN1 (0.45) ALDH1A1PTPN1CYP3A4
SCHEMBL16401724 0.71 KDM4E (0.52) POLBALDH1A1PPARAPTGS1CYP3A4
SCHEMBL30298877 0.71 TNKS (0.57) ALDH1A1PPARGPPARDPPARAPTGS1

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 POLB 3247/4885ALDH1A1 1178/4885PPARG 2870/4885
US-20050043411-A1 Process for preparing homophthalate derivatives HPD, HAAO, PAH POLB 2614/4885ALDH1A1 669/4885PPARG 2750/4885
US-20040024240-A1 Process for preparing homophthalate derivatives HPD, HAAO, PAH POLB 2614/4885ALDH1A1 669/4885PPARG 2750/4885

“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.