SCHEMBL3630959

SCHEMBL3630959

CC(=O)c1c(O)ccc(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
ESRRA P11474 2/20 0.41
PRKCI P41743 1/20 0.40
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 2/20 0.39
LMNA P02545 2/20 0.39
NR1I2 O75469 1/20 0.39
CYP2C9 P11712 1/20 0.39
MIF P14174 1/20 0.39
TYR P14679 1/20 0.39
HTT P42858 1/20 0.39
NFE2L2 Q16236 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9867735 0.82 PRKCI (0.49) THRBESRRAPRKCIALDH1A1ALOX15
SCHEMBL28972003 0.79 NR1H4 (0.40) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL30048420 0.74 ALDH1A1 (0.48) ESRRAALDH1A1ALOX15LMNANR1I2
SCHEMBL142313 0.74 ALDH1A1 (0.48) ESRRAALDH1A1ALOX15LMNANR1I2
SCHEMBL6451162 0.73 THRB (0.70) THRBPRKCIALDH1A1ALOX15LMNA
SCHEMBL30041549 0.73 ALDH1A1 (0.46) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL50519 0.73 ALDH1A1 (0.46) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL8750898 0.73 ALDH1A1 (0.46) ESRRAALDH1A1ALOX15LMNANR1I2
Ammonia Solution, Strong SCHEMBL478297 0.73 ALDH1A1 (0.46) ESRRAALDH1A1ALOX15LMNANR1I2
SCHEMBL9652135 0.71 ALDH1A1 (0.45) ESRRAALDH1A1ALOX15LMNANR1I2

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
US-7642011-B2 Secondary battery with a radical compound active material NEC CORPORATION (JP) 2010-01-05 US disclosed
EP-1722430-B1 Secondary battery using a radical compound as active electrode material NEC CORP (JP) 2009-12-23 EP disclosed
EP-1722431-A2 Secondary battery using a radical compound as active electrode material NEC Corporation (JP) 2006-11-15 EP disclosed
EP-1722430-A1 Secondary battery using a radical compound as active electrode material NEC Corporation (JP) 2006-11-15 EP disclosed
US-20050170247-A1 Secondary battery with a radical compound active material NEC CORPORATION (JP) 2005-08-04 US disclosed
US-6866964-B2 Secondary battery NEC CORPORATION (JP) 2005-03-15 US disclosed
US-20030096165-A1 Secondary battery NEC CORPORATION 2003-05-22 US disclosed
EP-1128453-A2 Secondary battery using a radical compound as active electrode material NEC CORPORATION (JP) 2001-08-29 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-20050170247-A1 Secondary battery with a radical compound active material SOD1, SCO2, CAT THRB 4586/4885ESRRA 2161/4885PRKCI 3983/4885

“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.