SCHEMBL6792334

SCHEMBL6792334

CCOC(=O)CCCC1CCC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
SMYD3 Q9H7B4 1/20 0.41
BRD4 O60885 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.38
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE4D Q08499 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 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
SCHEMBL11004376 0.94 ALDH1A1 (0.52) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL2597869 0.90 ALDH1A1 (0.43) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL15369772 0.83 CYP1A2 (0.50) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL7453783 0.82 CYP1A2 (0.46) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL8463385 0.82 TDP1 (0.41) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL31704259 0.81 CYP1A2 (0.48) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL7683870 0.81 CYP1A2 (0.48) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL5827221 0.81 CYP1A2 (0.48) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL26828470 0.81 CYP2D6 (0.42) ALDH1A1ALOX15TDP1USP2CYP1A2
SCHEMBL31640425 0.81 ALDH1A1 (0.40) ALDH1A1KMT2APTGS2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746120-B2 Stat degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-09-05 US 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

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-20040039008-A1 Spiro and dispiro 1,2,4-trioxolane antimalarials DHODH, THPO, SQLE ALDH1A1 212/4885ALOX15 292/4885TDP1 2912/4885
US-11746120-B2 Stat degraders and uses thereof STAT4, STAT1, STAT3 ALDH1A1 2465/4885ALOX15 2745/4885TDP1 779/4885

“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.