SCHEMBL4892644

SCHEMBL4892644

CC(=O)OCC(CCO)COC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA1A P35348 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP3A4 P08684 4/20 0.35
USP2 O75604 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 4/20 0.33
GALR3 O60755 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33

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
SCHEMBL9823979 0.84 GABRP (0.41) TDP1ALDH1A1HSD17B10LMNACYP3A4
SCHEMBL888659 0.82 ALDH1A1 (0.50) TDP1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL13300353 0.81 ALDH1A1 (0.46) TDP1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL13459987 0.80 TDP1 (0.45) TDP1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL5358516 0.80 TDP1 (0.45) TDP1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL13479158 0.79 TDP1 (0.41) TDP1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL5930106 0.79 TDP1 (0.45) TDP1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL8336829 0.79 TDP1 (0.41) TDP1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL7816892 0.79 TDP1 (0.41) TDP1ALDH1A1HSD17B10LMNAHPGD
SCHEMBL6916715 0.79 TDP1 (0.41) TDP1ALDH1A1HSD17B10LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484605-B Preparation method of 2-amino-6-chloro-9- (4-acetoxyl-3-acetoxymethyl butyl) purine 上药康丽(常州)药业有限公司 2020-08-21 CN claimed
EP-0141927-B1 ANTIVIRAL GUANINE DERIVATIVES BEECHAM GROUP PLC (GB) 1991-10-30 EP claimed
CN-108484605-B Preparation method of 2-amino-6-chloro-9- (4-acetoxyl-3-acetoxymethyl butyl) purine 上药康丽(常州)药业有限公司 2020-08-21 CN disclosed
CN-108484605-B Preparation method of 2-amino-6-chloro-9- (4-acetoxyl-3-acetoxymethyl butyl) purine 上药康丽(常州)药业有限公司 2020-08-21 CN disclosed
US-9549930-B2 Combined systemic and topical treatment of disordered and/or prodromal stage tissue QUADEX PHARMACEUTICALS, LLC (US) 2017-01-24 US disclosed
US-9545408-B2 Combined systemic and topical treatment of disordered tissues QUADEX PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
EP-2968228-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES Quadex Pharmaceuticals, LLC (US) 2016-01-20 EP disclosed
US-20150374704-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED AND/OR PRODROMAL STAGE TISSUE QUADEX PHARMACEUTICALS, LLC 2015-12-31 US disclosed
US-20150342955-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES QUADEX PHARMACEUTICALS, LLC 2015-12-03 US disclosed
US-9125911-B2 Combined systemic and topical treatment of disordered tissues QUADEX PHARMACEUTICALS, LLC (US) 2015-09-08 US disclosed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
US-5656617-A ANTIVIRAL AGENT MEDIVIR AB (SE) 1997-08-12 US disclosed
US-5565461-A TREATING HUMAN IMMUNODEFICIENCY VIRUS MEDIVIR AB (SE) 1996-10-15 US disclosed
US-5284837-A Viricides MEDIVIR AB (SE) 1994-02-08 US disclosed
EP-0343133-B1 DERIVATIVES OF PURINE, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION Medivir Aktiebolag (SE) 1992-04-08 EP disclosed
US-5075445-A GUANINE DERIVATIVES BEECHAM GROUP P.L.C. (GB) 1991-12-24 US disclosed
EP-0141927-B1 ANTIVIRAL GUANINE DERIVATIVES BEECHAM GROUP PLC (GB) 1991-10-30 EP disclosed
EP-0343133-A1 Derivatives of purine, process for their preparation and a pharmaceutical preparation Medivir Aktiebolag (SE) 1989-11-23 EP disclosed
WO-1989010923-A1 DERIVATIVES OF PURINE, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL PREPARATION MEDIVIR AB (SE) 1989-11-16 WO disclosed
EP-0141927-A2 Antiviral guanine derivatives BEECHAM GROUP PLC (GB) 1985-05-22 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 (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-20150342955-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES NT5E, SAMHD1, DCTD TDP1 251/4885ALDH1A1 3897/4885HSD17B10 3879/4885
US-20150374704-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED AND/OR PRODROMAL STAGE TISSUE SAMHD1, CUTA, TK1 TDP1 287/4885ALDH1A1 4317/4885HSD17B10 4458/4885

“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.