SCHEMBL1546086

SCHEMBL1546086

CC(=O)OCc1cnc(C)c(O)c1COC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AOX1 Q06278 1/20 0.41
ESR1 P03372 1/20 0.40
PTGS1 P23219 1/20 0.40
ACP1 P24666 1/20 0.40
PDE4A P27815 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
PNPO Q9NVS9 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
PDXK O00764 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.36

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
Hydrochloric Acid SCHEMBL1546007 0.98 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL405403 0.91 HPGD (0.63) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL17145899 0.89 LMNA (0.60) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL20581812 0.86 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL20143334 0.84 HPGD (0.50) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL6266333 0.81 CA2 (0.46) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL23054799 0.80 MAPT (0.35) KDM4EALDH1A1HSD17B10HPGDESR1
SCHEMBL19233567 0.80 MAPT (0.35) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL1546656 0.80 TDP1 (0.46) KDM4EALDH1A1HSD17B10HPGDLMNA
Acetic Acid SCHEMBL6266322 0.79 CA2 (0.44) KDM4EALDH1A1HSD17B10HPGDLMNA

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
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
WO-2015132577-A1 PYRIDINE DERIVATIVES AND METHODS OF USE LINK TECHNOLOGIES LIMITED (GB) 2015-09-11 WO disclosed
EP-2311847-B9 COMPOSITION CONTAINING STABLE VITAMIN B6 DERIVATIVE DAIICHI FINE CHEM CO LTD (JP) 2013-07-24 EP disclosed
EP-2311847-B1 COMPOSITION CONTAINING STABLE VITAMIN B6 DERIVATIVE DAIICHI FINE CHEM CO LTD (JP) 2013-03-27 EP disclosed
US-8003615-B2 Stable vitamin B6 derivative DAIICHI FINE CHEMICAL CO., LTD. (JP) 2011-08-23 US disclosed
EP-2311847-A1 Composition containing stable vitamin B6 derivative Daiichi Fine Chemical Co., Ltd. (JP) 2011-04-20 EP disclosed
US-20090117064-A1 STABLE VITAMIN B6 DERIVATIVE DAIICHI FINE CHEMICAL CO., LTD. (JP) 2009-05-07 US disclosed
US-20070148108-A1 Stable vitamin b6 derivative KYOWA PHARMA CHEMICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1679316-A1 STABLE VITAMIN B6 DERIVATIVE Daiichi Fine Chemical Co., Ltd. (JP) 2006-07-12 EP 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-20090117064-A1 STABLE VITAMIN B6 DERIVATIVE PNPO, PLPBP, OGFOD1 KDM4E 1685/4885ALDH1A1 466/4885HSD17B10 537/4885
US-20070148108-A1 Stable vitamin b6 derivative PNPO, PLPBP, OGFOD1 KDM4E 1777/4885ALDH1A1 894/4885HSD17B10 972/4885
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL KDM4E 2438/4885ALDH1A1 1112/4885HSD17B10 1415/4885

“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.