SCHEMBL2950462

SCHEMBL2950462

O=C(CC(=O)ON1CCCCC1)ON1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HTT P42858 1/20 0.30
MMP1 P03956 1/20 0.30

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
Water SCHEMBL9419678 0.98 ALDH1A1 (0.34) ALDH1A1MAPTPOLBGAACYP1A2
SCHEMBL6671880 0.92 MGAM (0.31) GAAMEN1KMT2A
SCHEMBL11463262 0.91 MGAM (0.39) ALDH1A1POLBGAACYP1A2MEN1
SCHEMBL10540741 0.89 SMN1; SMN2 (0.36) ALDH1A1MAPTPOLBGAACYP1A2
Ether SCHEMBL9419673 0.88 MGAM (0.37) ALDH1A1POLBGAACYP1A2MEN1
SCHEMBL28108486 0.87 MGAM (0.44) ALDH1A1MAPTGAACYP1A2MEN1
SCHEMBL5874140 0.85 ALDH1A1 (0.38) ALDH1A1MAPTPOLBGAACYP1A2
SCHEMBL3910467 0.83 ALDH1A1 (0.33) ALDH1A1MAPTPOLBGAACYP1A2
SCHEMBL3910470 0.83 ALDH1A1 (0.33) ALDH1A1MAPTPOLBGAACYP1A2
SCHEMBL5874928 0.82

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310771-A Ultraviolet resistance, hindered amines, metal phosphonates, triazines PHILLIPS PETROLEUM COMPANY (US) 1994-05-10 US claimed
EP-0567117-A1 Polyolefin stabilization PHILLIPS PETROLEUM COMPANY (US) 1993-10-27 EP claimed
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 US disclosed
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 EP disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 US disclosed
US-20120298007-A1 PROCESS FOR PRODUCING CELLULOSE ESTER FILM, CELLULOSE ESTER FILM, POLARIZATION PLATE AND DISPLAY UNIT KONICA MINOLTA OPTO, INC. (JP) 2012-11-29 US disclosed
CN-101326219-B Method for producing cellulose ester film, polarizing plate, and liquid crystal display device KONICA MINOLTA OPTO INC 2012-07-04 CN disclosed
WO-2010144959-A1 ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-12-23 WO disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-5310771-A Ultraviolet resistance, hindered amines, metal phosphonates, triazines PHILLIPS PETROLEUM COMPANY (US) 1994-05-10 US disclosed
EP-0567117-A1 Polyolefin stabilization PHILLIPS PETROLEUM COMPANY (US) 1993-10-27 EP disclosed
US-4888369-A CONTAINING SYNERGISTIC MIXTURE OF ADDITIVES HIMONT INCORPORATED (US) 1989-12-19 US disclosed
US-4198334-A HEAT, LIGHT, OXIDATION RESISTANCE, PLASTICS CIBA-GEIGY CORPORATION (US) 1980-04-15 US disclosed
US-4148783-A HEAT, LIGHT, OXIDATION, AGING RESISTANCE, STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1979-04-10 US disclosed
US-4088496-A SILVER SALT, DEVELOPER, BINDER AND AN ACTIVATOR, THE ACID PORTION OF WHICH IS 2-CARBOXYCARBOXAMIDE EASTMAN KODAK COMPANY (US) 1978-05-09 US disclosed
US-4060420-A PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1977-11-29 US disclosed
US-4012260-A THIAZOLINIUM COMPOUNDS EASTMAN KODAK COMPANY (US) 1977-03-15 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-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 ALDH1A1 862/4885MAPT 3964/4885POLB 176/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA ALDH1A1 1171/4885MAPT 4598/4885POLB 1093/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 ALDH1A1 862/4885MAPT 3964/4885POLB 176/4885

“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.