SCHEMBL4889784

SCHEMBL4889784

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 2/20 0.44
NLRP3 Q96P20 2/20 0.43
ALDH1A1 P00352 4/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4882527 0.89 ALDH1A1 (0.55) HPGDLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4883349 0.82 CXCR2 (0.43) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL8653894 0.79 ALDH1A1 (0.52) HPGDLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4888919 0.78 HPGD (0.44) HPGDLMNASMN1; SMN2MEN1KMT2A
SCHEMBL4767657 0.77 NLRP3 (0.69) HPGDSMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL4883113 0.77 HPGD (0.44) HPGDSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL4883127 0.76 TSHR (0.62) MAPK1ALDH1A1
SCHEMBL4880034 0.76 ALDH1A1 (0.47) HPGDCYP1A2CYP2C19MEN1KMT2A
SCHEMBL6538988 0.75 NLRP3 (0.62) HPGDLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL7250114 0.74 ALDH1A1 (0.66) HPGDLMNASMN1; SMN2CYP1A2CYP2C19

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 HPGD 2622/4885LMNA 3362/4885SMN1; SMN2 2166/4885

“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.