SCHEMBL6788089

SCHEMBL6788089

CCOC(=O)c1ccc(C(=O)c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.73
CA2 P00918 4/20 0.73
CA12 O43570 3/20 0.73
CA7 P43166 3/20 0.73
CA9 Q16790 3/20 0.73
CA14 Q9ULX7 3/20 0.73
ESR1 P03372 1/20 0.73
ESR2 Q92731 1/20 0.73
LMNA P02545 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
MAOA P21397 1/20 0.70
HPGD P15428 4/20 0.61
HTT P42858 2/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RECQL P46063 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HSP90AA1 P07900 1/20 0.58
CACNA1B Q00975 1/20 0.58

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
SCHEMBL87450 0.93 CA1 (0.83) CA1CA2CA12CA7CA9
SCHEMBL571222 0.92 SMN1; SMN2 (0.66) CA1CA2CA12CA7CA9
SCHEMBL10626959 0.92 CA12 (0.63) CA1CA2CA12CA7CA9
SCHEMBL27667926 0.91 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL30271267 0.91 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL27667917 0.91 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL29504635 0.91 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL7746905 0.91 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL21440358 0.91 CA1 (0.79) CA1CA2CA12CA7CA9
SCHEMBL27647420 0.91 CA1 (0.79) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119432016-A Impact-resistant packaging material and preparation method thereof 武汉环动科技发展有限公司 2025-02-14 CN disclosed
US-6825230-B2 PEROXY COMPOUNDS SUCH AS ADAMANTANE-2-SPIRO-3'-8'-((1'S)-10'-CAMPHORSULFONYL)-1',2',4'-TRIOXA-8' -AZASPIRO(4.5) DECANE, USED FOR PROPHYLAXIS OF MALARIA OR SCHISTOSOMIASIS INFECTIONS MEDICINES FOR MALARIA VENTURE MMV (CH) 2004-11-30 US disclosed
EP-1414813-A1 1,2,4-TRIOXOLANE ANTIMALARIALS Medicines for Malaria Venture (CH) 2004-05-06 EP disclosed
US-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURES MMV (CH) 2004-02-26 US disclosed
WO-2003000676-A1 1,2,4-TRIOXOLANE ANTIMALARIALS MEDICINES FOR MALARIA VENTURE (CH) 2003-01-03 WO disclosed
US-5296601-A Reaction of aromatic chloride with carbon monoxide and alcohol NIHON NOHYAKU CO., LTD. (JP) 1994-03-22 US disclosed
EP-0282266-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID AMIDES OR ESTERS NIHON NOHYAKU CO., LTD. (JP) 1992-09-09 EP disclosed
US-5142057-A Reacting an organic chloride with carbon monoxide and amine NIHON NOHYAKU CO., LTD. (JP) 1992-08-25 US 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-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials DHODH, THPO, SQLE CA1 1544/4885CA2 2615/4885CA12 3092/4885

“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.