SCHEMBL19809

SCHEMBL19809

COc1ccccc1OP(=O)(Oc1ccccc1OC)Oc1ccccc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA12 O43570 1/20 0.62
CA4 P22748 1/20 0.62
CA14 Q9ULX7 1/20 0.62
HPGD P15428 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 2/20 0.48
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL19142344 0.88 TP53 (0.61) CA1CA2CA7CA9CA12
SCHEMBL4633890 0.87 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL27453980 0.84 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL28621325 0.82 CA1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL11508229 0.82 CA1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL11420633 0.82 CA1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL19808 0.82 INPPL1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL11740601 0.82 CA1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL4633888 0.82 CA1 (0.56) CA1CA2CA7CA9CA12
SCHEMBL30770359 0.82 INPPL1 (0.57) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021054927-A2 GLUTATHIONE-CHOLESTEROL DERIVATIVES AS BRAIN TARGETING AGENTS SOUTH DAKOTA BOARD OF REGENTS (US) 2021-03-25 WO claimed
US-20200048305-A1 GLUTATHIONE-CHOLESTEROL DERIVATIVES AS BRAIN TARGETING AGENTS SOUTH DAKOTA BOARD OF REGENTS (US) 2020-02-13 US claimed
US-9622969-B2 Polymer conjugated protein micelles SOUTH DAKOTA STATE UNIV (US) 2017-04-18 US claimed
US-20140370110-A1 POLYMER CONJUGATED PROTEIN MICELLES SOUTH DAKOTA STATE UNIVERSITY (US) 2014-12-18 US claimed
EP-2729136-A1 DRUG COMBINATIONS AND USES IN TREATING A COUGHING CONDITION Biocopea Limited (GB) 2014-05-14 EP claimed
CN-103648488-A Pharmaceutical compositions and use in treating cough conditions BIOCOPEA LTD 2014-03-19 CN claimed
EP-2608847-A1 THEOBROMINE IN COMBINATION WITH AN EXPECTORANT OR A MUCOLYTIC FOR USE IN THERAPY Biocopea Limited (GB) 2013-07-03 EP claimed
CN-103189108-A Theobromine in combination with an expectorant or a mucolytic for use in therapy BIOCOPEA LTD 2013-07-03 CN claimed
WO-2013004999-A1 DRUG COMBINATIONS AND USES IN TREATING A COUGHING CONDITION BIOCOPEA LIMITED (GB) 2013-01-10 WO claimed
WO-2012025761-A1 THEOBROMINE IN COMBINATION WITH AN EXPECTORANT OR A MUCOLYTIC FOR USE IN THERAPY BIOCOPEA LIMITED (GB) 2012-03-01 WO claimed
EP-2214716-B1 HYDROXYAPATITE-TARGETING MULTIARM POLYMERS AND CONJUGATES MADE THEREFROM NEKTAR THERAPEUTICS (US) 2021-11-17 EP disclosed
US-11116789-B2 Compositions and methods for pain relief without numbness BDA-12, LLC 2021-09-14 US disclosed
CN-108291123-B Cellulose acetate wood filler composition 醋酸纤维国际有限责任公司 2021-04-23 CN disclosed
WO-2021064059-A1 NON-METALLIC PHOSPHORUS ANTIWEAR ADDITIVES CASTROL LIMITED (GB) 2021-04-08 WO disclosed
WO-2021064059-A1 NON-METALLIC PHOSPHORUS ANTIWEAR ADDITIVES CASTROL LIMITED (GB) 2021-04-08 WO disclosed
US-5261903-A Composite anesthetic article and method of use M.D. INC. (US) 1993-11-16 US disclosed
US-5226901-A Buffering systems; adding sodium bicarbonate M.D., INC. 1993-07-13 US disclosed
US-5209724-A Buffering local anesthetic, reducing pain and irritation on injection M.D., INC. 1993-05-11 US disclosed
US-5149320-A Using parenteral solution containing sodium bicarbonate and dissolved carbon dioxide M.D., INC. 1992-09-22 US disclosed
EP-0055313-A1 Guaiacol and derivatives; compositions thereof and use in a method of treatment ED. GEISTLICH SÖHNE AG FÜR CHEMISCHE INDUSTRIE (CH) 1982-07-07 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-20200048305-A1 GLUTATHIONE-CHOLESTEROL DERIVATIVES AS BRAIN TARGETING AGENTS GSTK1, GSTO1, GSTM2 CA1 725/4885CA2 2428/4885CA7 2739/4885
US-20140370110-A1 POLYMER CONJUGATED PROTEIN MICELLES MTDH, PSMG3, GHITM CA1 3087/4885CA2 4462/4885CA7 3225/4885

“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.