SCHEMBL5470533

SCHEMBL5470533

CC1(C)O[C@H]2O[C@H](COCc3ccccc3)[C@@H](O)[C@H]2O1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
ALDH1A1 P00352 3/20 0.49
SLC6A2 P23975 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
TACR2 P21452 1/20 0.40
HSPA5 P11021 1/20 0.38

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
SCHEMBL5477125 1.00 HPGD (0.53) HPGDALDH1A1SLC6A2MEN1POLB
SCHEMBL21756599 1.00 HPGD (0.53) HPGDALDH1A1SLC6A2MEN1POLB
SCHEMBL14414850 1.00 HPGD (0.53) HPGDALDH1A1SLC6A2MEN1POLB
SCHEMBL14414818 1.00 HPGD (0.53) HPGDALDH1A1SLC6A2MEN1POLB
SCHEMBL1130657 0.87 ALDH1A1 (0.60) HPGDALDH1A1POLBTACR2
SCHEMBL19588714 0.87 ALDH1A1 (0.60) HPGDALDH1A1POLBTACR2
SCHEMBL2623390 0.87 ALDH1A1 (0.60) HPGDALDH1A1POLBTACR2
SCHEMBL10819414 0.87 ALDH1A1 (0.60) HPGDALDH1A1POLBTACR2
SCHEMBL2614786 0.87 ALDH1A1 (0.60) HPGDALDH1A1POLBTACR2
SCHEMBL24681013 0.86 ALDH1A1 (0.47) HPGDALDH1A1SLC6A2TACR2

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-20200062793-A1 APRAMYCIN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2020-02-27 US disclosed
US-20070225246-A1 O-acetyl-ADP-ribose non-hydrolyzable analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-09-27 US disclosed
US-6562514-B1 Stabilized vanadium electrolyte solutions for all-vanadium redox cells and batteries PINNACLE VRB LIMITED (AU) 2003-05-13 US disclosed
US-6468688-B2 CHARGING, DISCHARGING EFFICIENCY; VANADIUM ELECTROLYTE PINNACLE VRB LIMITED (AU) 2002-10-22 US disclosed
US-20010028977-A1 Charging, discharging efficiency; vanadium electrolyte JD HOLDING INC. (KY) 2001-10-11 US disclosed
US-6143443-A ALL-VANADIUM REDOX BATTERY, COMPRISING THE STABILIZED ELECTROLYTE PINNACLE ARB LIMITED (AU) 2000-11-07 US disclosed
US-6120997-A LIBRARY OF COMPOUNDS WHICH INHIBIT PROTEIN SYNTHESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2000-09-19 US disclosed
EP-0729648-A4 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LTD (AU) 1997-01-02 EP disclosed
EP-0729648-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-09-04 EP disclosed
WO-1995012219-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1995-05-04 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 (2 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-20070225246-A1 O-acetyl-ADP-ribose non-hydrolyzable analogs PARP1, TIPARP, CD38 HPGD 231/4885ALDH1A1 1110/4885SLC6A2 4832/4885
US-20200062793-A1 APRAMYCIN DERIVATIVES APRT, ABCC5, MPI HPGD 3011/4885ALDH1A1 546/4885SLC6A2 2334/4885

“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.