SCHEMBL4887218

SCHEMBL4887218

N#CC12CC3CC(C1)CC(C(=O)O)(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PREP P48147 1/20 0.33
RBP4 P02753 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL12104275 0.90 PKM (0.42) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL6152600 0.83 PKM (0.47) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL4098563 0.80 ALDH1A1 (0.35) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL14493665 0.80 L3MBTL1 (0.58) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL164232 0.80 L3MBTL1 (0.58) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL13589980 0.80 L3MBTL1 (0.58) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL3871913 0.79 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL3869634 0.79 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
Hydrochloric Acid SCHEMBL4712251 0.78 L3MBTL1 (0.61) PKML3MBTL1ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4712253 0.78 L3MBTL1 (0.61) PKML3MBTL1ALDH1A1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 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 (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-20080275112-A1 Invention Concerning Aminoadamantane Compounds GABRA5, GABRA1, GABRA4 PKM 2313/4885L3MBTL1 4233/4885ALDH1A1 570/4885

“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.