SCHEMBL4888916

SCHEMBL4888916

CC(C)CC(=O)Nc1cccc([C]=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.48
GAA P10253 3/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPN1 P18031 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
CXCR2 P25025 1/20 0.43
RAB9A P51151 1/20 0.41
F2R P25116 1/20 0.39

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
SCHEMBL4888919 0.83 HPGD (0.44) SMN1; SMN2POLBGAAMEN1KMT2A
SCHEMBL4879184 0.78 KDM4E (0.51) KMT2AALDH1A1L3MBTL1HPGDLMNA
SCHEMBL4883127 0.78 TSHR (0.62) POLBGAAALDH1A1L3MBTL1
SCHEMBL4880034 0.78 ALDH1A1 (0.47) POLBGAAMEN1KMT2AMAPT
SCHEMBL4883113 0.77 HPGD (0.44) SMN1; SMN2GAAKMT2AALDH1A1L3MBTL1
SCHEMBL12284941 0.76 SMN1; SMN2 (0.59) SMN1; SMN2POLBGAAMEN1KMT2A
SCHEMBL10780646 0.75 SMN1; SMN2 (0.44) SMN1; SMN2POLBGAAMEN1KMT2A
SCHEMBL4883349 0.75 CXCR2 (0.43) SMN1; SMN2GAAMEN1KMT2AMAPT
SCHEMBL27713876 0.74 POLB (0.59) SMN1; SMN2POLBGAAMEN1KMT2A
SCHEMBL4889765 0.74 CETP (0.49) POLBGAAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1789380-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF Justus-Liebig-Universität Giessen (DE) 2007-05-30 EP claimed
WO-2006010362-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2006-02-02 WO claimed
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US disclosed
EP-1789380-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF Justus-Liebig-Universität Giessen (DE) 2007-05-30 EP disclosed
WO-2006010362-A1 AMINO ADAMANTANE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2006-02-02 WO 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 SMN1; SMN2 2166/4885POLB 2819/4885GAA 994/4885

“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.