SCHEMBL4545011

SCHEMBL4545011

CCCOCCN(CC)C(C)c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MC4R P32245 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR7 P34969 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KCNA5 P22460 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL4545006 0.90 BCHE (0.39) ACHEBCHEALDH1A1MC4RL3MBTL1
SCHEMBL12018213 0.89 BCHE (0.45) ACHEBCHEALDH1A1SIGMAR1L3MBTL1
SCHEMBL11886646 0.83 CA1 (0.44) ACHEALDH1A1MC4RL3MBTL1CA1
SCHEMBL10245022 0.83 CA1 (0.44) ACHEALDH1A1MC4RL3MBTL1CA1
SCHEMBL1132754 0.81 TAAR1 (0.41) ACHEALDH1A1MC4RL3MBTL1CA1
SCHEMBL12608137 0.81 ALDH1A1 (0.48) ACHEBCHEALDH1A1MC4RSIGMAR1
SCHEMBL334590 0.81 MC4R (0.38) ACHEBCHEALDH1A1MC4RL3MBTL1
SCHEMBL334589 0.81 MC4R (0.38) ACHEBCHEALDH1A1MC4RL3MBTL1
SCHEMBL334999 0.81 TAAR1 (0.41) ACHEALDH1A1MC4RL3MBTL1CA1
SCHEMBL12608991 0.79 MC4R (0.40) ACHEALDH1A1MC4RHTR7CA1

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 ACHE 2879/4885BCHE 4202/4885ALDH1A1 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.