SCHEMBL6794966

SCHEMBL6794966

COC(=O)c1ccc(CC2CCC(=O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
CYP4A11 Q02928 2/20 0.46
CYP4F2 P78329 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
EPHX1 P07099 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL23912339 0.94 CYP4A11 (0.46) LOXL2CYP4A11CYP4F2MEN1KMT2A
SCHEMBL31352725 0.89 LOXL2 (0.58) LOXL2CYP4A11CYP4F2MEN1KMT2A
SCHEMBL6963348 0.86 LOXL2 (0.54) LOXL2CYP4A11CYP4F2MEN1KMT2A
SCHEMBL8703548 0.85 CYP4A11 (0.51) LOXL2CYP4A11CYP4F2MEN1KMT2A
SCHEMBL13687815 0.83 LOXL2 (0.51) LOXL2CYP4A11CYP4F2MEN1KMT2A
SCHEMBL4247366 0.82 GBA1 (0.51) LOXL2CYP4A11CYP4F2MEN1KMT2A
SCHEMBL2250651 0.82 LOXL2 (0.50) LOXL2CYP4A11CYP4F2MEN1KMT2A
SCHEMBL27979790 0.81 KMT2A (0.50) MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4777910 0.81 GBA1 (0.50) LOXL2CYP4A11CYP4F2MEN1KMT2A
SCHEMBL4771649 0.78 RAB9A (0.54) MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 LOXL2 3672/4885CYP4A11 40/4885CYP4F2 435/4885

“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.