SCHEMBL4882527

SCHEMBL4882527

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 1/20 0.55
NLRP3 Q96P20 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPN1 P18031 1/20 0.43
GPR35 Q9HC97 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL4889784 0.89 HPGD (0.47) ALDH1A1HPGDNLRP3CYP1A2CYP2C19
SCHEMBL6538988 0.86 NLRP3 (0.62) ALDH1A1HPGDNLRP3CYP1A2CYP2C9
SCHEMBL7250114 0.86 ALDH1A1 (0.66) ALDH1A1HPGDNLRP3CYP1A2CYP2C9
SCHEMBL4883349 0.84 CXCR2 (0.43) ALDH1A1HPGDNLRP3SMN1; SMN2MEN1
SCHEMBL10657470 0.81 ALDH1A1 (0.60) ALDH1A1HPGDNLRP3CYP1A2CYP2C9
SCHEMBL4888919 0.80 HPGD (0.44) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL4883113 0.79 HPGD (0.44) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL4880034 0.78 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2CYP2C19MEN1
SCHEMBL8657991 0.78 ALDH1A1 (0.56) ALDH1A1HPGDNLRP3CYP1A2CYP2C9
SCHEMBL9342000 0.77 ALDH1A1 (0.78) ALDH1A1HPGDNLRP3CYP1A2CYP2C9

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 ALDH1A1 570/4885HPGD 2622/4885NLRP3 708/4885

“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.