SCHEMBL6530948

SCHEMBL6530948

O=C1OC(c2ccccc2)C(C(=O)O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
EDNRA P25101 2/20 0.42
EDNRB P24530 1/20 0.42
FFAR1 O14842 1/20 0.41
HTT P42858 1/20 0.41
MDM2 Q00987 3/20 0.40

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
SCHEMBL15251730 0.89 ALDH1A1 (0.45) ALDH1A1MEN1GAAKMT2ASMN1; SMN2
SCHEMBL15251743 0.89 MDM2 (0.53) ALDH1A1KDM4ESMN1; SMN2EDNRAEDNRB
SCHEMBL15251881 0.85 FFAR1 (0.55) ALDH1A1SMN1; SMN2EDNRAEDNRBFFAR1
SCHEMBL15251820 0.85 FFAR1 (0.54) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL15251874 0.84 POLB (0.42) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL15256137 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL15252107 0.82 HTT (0.44) ALDH1A1KDM4EGAASMN1; SMN2EDNRA
SCHEMBL15251882 0.82 EDNRB (0.47) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL15255045 0.80 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL15252106 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2639212-B1 Enantioselective organic anhydride reactions PROVOST FELLOWS & SCHOLARS COLLEGE OF THE HOLY UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2016-03-09 EP disclosed
US-9050586-B2 Enantioselective organic anhydride reactions THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2015-06-09 US disclosed
US-20130245268-A1 ENANTIOSELECTIVE ORGANIC ANHYDRIDE REACTIONS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD (IE) 2013-09-19 US disclosed
EP-2639212-A1 Enantioselective organic anhydride reactions The Provost, Fellows, Foundation Scholars, & the other members of Board, of the College of the Holy & Undiv. Trinity of Queen Elizabeth near Dublin (IE) 2013-09-18 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130245268-A1 ENANTIOSELECTIVE ORGANIC ANHYDRIDE REACTIONS AKR1B10, ALDH3A1, AKR1C4 ALDH1A1 34/4885KDM4E 2106/4885MEN1 910/4885
US-20030105340-A1 Process for preparing isocoumarins DHPS, IDH2, IDH1 ALDH1A1 1178/4885KDM4E 1498/4885MEN1 847/4885
US-20050043411-A1 Process for preparing homophthalate derivatives HPD, HAAO, PAH ALDH1A1 669/4885KDM4E 1794/4885MEN1 522/4885
US-20040024240-A1 Process for preparing homophthalate derivatives HPD, HAAO, PAH ALDH1A1 669/4885KDM4E 1794/4885MEN1 522/4885

“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.