SCHEMBL4545006

SCHEMBL4545006

CCN(CCOCCOC)C(C)c1ccccc1OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MC4R P32245 1/20 0.35
KCNA5 P22460 1/20 0.34
HTT P42858 1/20 0.34
CA2 P00918 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR7 P34969 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4545011 0.90 ACHE (0.40) BCHEACHEALDH1A1L3MBTL1MC4R
SCHEMBL12018213 0.88 BCHE (0.45) BCHEACHEALDH1A1L3MBTL1MAPT
SCHEMBL4545009 0.86 CYP2D6 (0.36) BCHEACHEALDH1A1MC4RKCNA5
SCHEMBL10245022 0.82 CA1 (0.44) ACHEALDH1A1L3MBTL1MC4RHTT
SCHEMBL11886646 0.82 CA1 (0.44) ACHEALDH1A1L3MBTL1MC4RHTT
SCHEMBL1132754 0.80 TAAR1 (0.41) ACHEALDH1A1L3MBTL1MC4RHTT
SCHEMBL12608137 0.80 ALDH1A1 (0.48) BCHEACHEALDH1A1MC4RCA2
SCHEMBL334589 0.80 MC4R (0.38) BCHEACHEALDH1A1L3MBTL1MC4R
SCHEMBL334590 0.80 MC4R (0.38) BCHEACHEALDH1A1L3MBTL1MC4R
SCHEMBL334999 0.80 TAAR1 (0.41) ACHEALDH1A1L3MBTL1MC4RHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120216867-A1 FULLERENE DERIVATIVES NATIONAL UNIVERSITY CORPORATION TOTTORI UNIVERSITY (JP) 2012-08-30 US disclosed
US-20120111411-A1 FULLERENE DERIVATIVE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2012-05-10 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 (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-20120111411-A1 FULLERENE DERIVATIVE HCN2, KCNN2, TMEM109 BCHE 4202/4885ACHE 2879/4885ALDH1A1 1309/4885

“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.