SCHEMBL7143703

SCHEMBL7143703

OCC(O)Cc1cccc2c1[nH]c1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
KIF11 P52732 4/20 0.45
PDE5A O76074 2/20 0.41
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 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
SCHEMBL2253123 0.83 KIF11 (0.50) KDM4EALDH1A1HPGDKIF11GABRP
SCHEMBL9935634 0.81 KIF11 (0.55) KDM4EALDH1A1HPGDKIF11PDE5A
SCHEMBL31474677 0.79 KIF11 (0.53) KDM4EALDH1A1HPGDKIF11GABRP
SCHEMBL15015504 0.79 KIF11 (0.53) KDM4EALDH1A1HPGDKIF11GABRP
SCHEMBL573589 0.77 KIF11 (0.50) KDM4EALDH1A1HPGDKIF11PDE5A
SCHEMBL11141346 0.76 KIF11 (0.57) KDM4EALDH1A1HPGDKIF11PDE5A
Hydrogen Peroxide SCHEMBL28221887 0.73 KIF11 (0.55) KDM4EALDH1A1HPGDKIF11HSD17B10
SCHEMBL27676787 0.73 KIF11 (0.50) KDM4EALDH1A1HPGDKIF11GABRP
SCHEMBL30480678 0.73 CYP3A4 (0.41) KDM4EALDH1A1GABRA1GABRB2MEN1
SCHEMBL28177618 0.73 CYP3A4 (0.41) KDM4EALDH1A1GABRA1GABRB2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113264856-B Sulfonium salt, photoacid generator, and photosensitive composition 东京应化工业株式会社 2022-11-22 CN disclosed
US-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing COOK PHILLIP D (US) 2003-04-03 US disclosed
US-6448373-B1 INHIBITORS OF ENZYMES SUCH AS PHOSPHOLIPASE A2; TREATMENT OF INFLAMMATORY DISEASES INCLUDING ATOPIC DERMATITIS AND INFLAMMATORY BOWEL DISEASE ISIS PHARMACEUTICALS, INC. 2002-09-10 US disclosed
EP-0739351-B1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 2002-04-10 EP disclosed
US-5886177-A ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed
EP-0739351-A4 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 1998-10-21 EP disclosed
US-5698391-A DETERMINATION OF TARGET PROPERTY; BIOSYNTHESIS CYCLES ISIS PHARMACEUTICALS, INC. (US) 1997-12-16 US disclosed
EP-0739351-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018820-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 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 (1 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-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing BPGM, PPIP5K2, PGM2 KDM4E 4696/4885ALDH1A1 3840/4885HPGD 601/4885

“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.