SCHEMBL2122095

SCHEMBL2122095

CC(C)(C)OC(=O)N(CCOCCO)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
CTSB P07858 2/20 0.38
ATM Q13315 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
ACE P12821 1/20 0.37
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
CTSK P43235 1/20 0.36
BACE1 P56817 1/20 0.36
SLC7A5 Q01650 1/20 0.36
PPARA Q07869 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL2125086 0.90 L3MBTL1 (0.42) L3MBTL1CTSBATMITGA4ITGB7
SCHEMBL11566665 0.84 HDAC3 (0.41) L3MBTL1CTSBATMITGA4ITGB7
SCHEMBL18359864 0.81 ALDH1A1 (0.48) L3MBTL1ATMITGA4ITGB7ACE
SCHEMBL10957821 0.81 ATM (0.42) L3MBTL1CTSBATMITGA4ITGB7
SCHEMBL8472423 0.81 ALDH1A1 (0.48) L3MBTL1ATMITGA4ITGB7ACE
SCHEMBL23099848 0.81 ATM (0.42) L3MBTL1CTSBATMITGA4ITGB7
SCHEMBL10957808 0.81 ATM (0.42) L3MBTL1CTSBATMITGA4ITGB7
SCHEMBL8472422 0.81 ALDH1A1 (0.48) L3MBTL1ATMITGA4ITGB7ACE
SCHEMBL23859850 0.80 L3MBTL1 (0.46) L3MBTL1CTSK
SCHEMBL23859851 0.80 L3MBTL1 (0.46) L3MBTL1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2495246-A1 FULLERENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-09-05 EP disclosed
US-20120216867-A1 FULLERENE DERIVATIVES NATIONAL UNIVERSITY CORPORATION TOTTORI UNIVERSITY (JP) 2012-08-30 US disclosed
EP-2448033-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Sumitomo Chemical Company, Limited (JP) 2012-05-02 EP disclosed
US-20120091449-A1 ORGANIC ELECTROLUMINESCENT ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 US disclosed
US-20110193073-A1 FULLERENE DERIVATIVE, COMPOSITION AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-11 US disclosed
US-20110193072-A1 FULLERENE DERIVATIVE, COMPOSITION, AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-11 US disclosed
EP-2345638-A1 FULLERENE DERIVATIVE, COMPOSITION AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
EP-2345651-A1 FULLERENE DERIVATIVE, COMPOSITION, AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110001093-A1 FULLERENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-01-06 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 (3 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-20110193073-A1 FULLERENE DERIVATIVE, COMPOSITION AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT CCNE2, CTNNA1, CCNA1 L3MBTL1 2713/4885CTSB 3909/4885ATM 1391/4885
US-20110193072-A1 FULLERENE DERIVATIVE, COMPOSITION, AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT C1S, CYP2S1, CCNE2 L3MBTL1 2030/4885CTSB 3949/4885ATM 1755/4885
US-20110001093-A1 FULLERENE DERIVATIVE CCNE2, H1-0, CRY2 L3MBTL1 680/4885CTSB 4291/4885ATM 1665/4885

“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.