SCHEMBL2486985

SCHEMBL2486985

CC(C)(C)C1CCC(OO)(OO)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL7592187 0.89 ALDH1A1 (0.31) ALDH1A1GAAUSP2MAPTCYP2C9
SCHEMBL7595344 0.86
SCHEMBL3475343 0.80 ALDH1A1 (0.33) ALDH1A1GAAMAPTCYP1A2KDM4E
SCHEMBL7593790 0.79 ALDH1A1 (0.35) ALDH1A1GAAUSP2MAPTTDP1
SCHEMBL6162381 0.78 ALDH1A1 (0.33) ALDH1A1GAAUSP2MAPTTDP1
SCHEMBL7592041 0.74 ALDH1A1 (0.42) ALDH1A1GAACYP1A2KDM4ELMNA
SCHEMBL10706815 0.73 ALDH1A1 (0.31) ALDH1A1GAAUSP2MAPTTDP1
SCHEMBL8162200 0.72 ALDH1A1 (0.36) ALDH1A1GAAUSP2MAPTTDP1
SCHEMBL6281752 0.72 KDM4E (0.31) KDM4E
SCHEMBL24132476 0.71 CYP1A2 (0.48) ALDH1A1GAAUSP2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8182785-B2 Methods and compositions for generating singlet oxygen NUTECH VENTURES (US) 2012-05-22 US claimed
US-20100040530-A1 Methods and Compositions for Generating Singlet Oxygen NUTECH VENTURES 2010-02-18 US claimed
US-8182785-B2 Methods and compositions for generating singlet oxygen NUTECH VENTURES (US) 2012-05-22 US disclosed
US-8182785-B2 Methods and compositions for generating singlet oxygen NUTECH VENTURES (US) 2012-05-22 US disclosed
EP-1496056-B1 NOVEL COMPOUNDS AND ANTIMALARIALS UNIV OKAYAMA (JP) 2011-10-26 EP disclosed
US-20100040530-A1 Methods and Compositions for Generating Singlet Oxygen NUTECH VENTURES 2010-02-18 US disclosed
US-20100040530-A1 Methods and Compositions for Generating Singlet Oxygen NUTECH VENTURES 2010-02-18 US disclosed
US-7407984-B2 Tetraoxaspriro anti-malarials OKAYAMA UNIVERSITY (JP) 2008-08-05 US disclosed
US-20050131058-A1 Novel compounds and antimalarials OKAYAMA UNIVERSITY (JP) 2005-06-16 US disclosed
EP-1496056-A1 NOVEL COMPOUNDS AND ANTIMALARIALS Okayama University (JP) 2005-01-12 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 (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-20050131058-A1 Novel compounds and antimalarials SQLE, NR1H3, ALOX15 ALDH1A1 1705/4885GAA 3431/4885USP2 4550/4885

“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.