SCHEMBL4889765

SCHEMBL4889765

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
CXCR2 P25025 1/20 0.42
TOP2A P11388 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL4880034 0.81 ALDH1A1 (0.47) CXCR2CYP1A2POLBKDM4EMEN1
SCHEMBL4883349 0.79 CXCR2 (0.43) L3MBTL1CXCR2KDM4ELMNAMEN1
SCHEMBL4888919 0.77 HPGD (0.44) CXCR2POLBKDM4ELMNAMEN1
SCHEMBL2087952 0.75 CETP (0.67) CETPL3MBTL1TOP2APDK1PDK2
SCHEMBL5706504 0.74 CETP (0.71) CETPL3MBTL1PDK1PDK2PDK3
SCHEMBL4882527 0.74 ALDH1A1 (0.55) L3MBTL1CYP1A2CYP2C9LMNAMEN1
SCHEMBL4888916 0.74 SMN1; SMN2 (0.49) L3MBTL1CXCR2POLBLMNAMEN1
SCHEMBL4883113 0.74 HPGD (0.44) L3MBTL1CXCR2CYP1A2CYP2C9KDM4E
SCHEMBL30525296 0.73 CETP (0.59) CETPL3MBTL1NPSR1CYP1A2POLB
SCHEMBL12284944 0.73 CETP (0.59) CETPL3MBTL1NPSR1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275112-A1 Invention Concerning Aminoadamantane Compounds SCHREINER PETER R 2008-11-06 US claimed
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 CETP 4713/4885L3MBTL1 4233/4885CXCR2 3787/4885

“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.