SCHEMBL2607368

SCHEMBL2607368

CCCOCCNCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.40
EPHX2 P34913 4/20 0.38
FFAR3 O14843 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LTA4H P09960 1/20 0.34
AKR1B1 P15121 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL31591147 0.86 KDM4E (0.40) KDM4ELMNAEPHX2ALDH1A1SMN1; SMN2
SCHEMBL30648987 0.86 ALDH1A1 (0.42) KDM4ELMNAEPHX2CYP2D6ALDH1A1
SCHEMBL2562258 0.85 KDM4E (0.41) KDM4EEPHX2CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL7720634 0.83 LTA4H (0.36) LMNASMN1; SMN2EGLN1MEN1KMT2A
SCHEMBL2125093 0.82 ALDH1A1 (0.41) KDM4ELMNAALDH1A1SMN1; SMN2EGLN1
SCHEMBL20535410 0.82 ALDH1A1 (0.41) KDM4ELMNAALDH1A1SMN1; SMN2EGLN1
SCHEMBL2721141 0.81 TSHR (0.43) KDM4EALDH1A1SMN1; SMN2EGLN1MEN1
SCHEMBL34475154 0.80 AKR1B1 (0.45) KDM4EEPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL17022393 0.79 MEN1 (0.46) KDM4EEPHX2ALDH1A1SMN1; SMN2MEN1
SCHEMBL7716541 0.79 TSHR (0.47) LMNAHDAC3HDAC1HDAC2HDAC8

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-8673958-B2 Fullerene derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-18 US disclosed
US-8440109-B2 Fullerene derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-14 US disclosed
US-20120216867-A1 FULLERENE DERIVATIVES NATIONAL UNIVERSITY CORPORATION TOTTORI UNIVERSITY (JP) 2012-08-30 US disclosed
US-20120119198-A1 FULLERENE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 US 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
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 (4 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 KDM4E 2687/4885LMNA 1241/4885EPHX2 2295/4885
US-20120119198-A1 FULLERENE DERIVATIVES KCNN2, KCNN1, NCS1 KDM4E 1730/4885LMNA 2952/4885EPHX2 3455/4885
US-20110193072-A1 FULLERENE DERIVATIVE, COMPOSITION, AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT C1S, CYP2S1, CCNE2 KDM4E 1176/4885LMNA 1045/4885EPHX2 1955/4885
US-20110001093-A1 FULLERENE DERIVATIVE CCNE2, H1-0, CRY2 KDM4E 1670/4885LMNA 1412/4885EPHX2 3585/4885

“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.