SCHEMBL4881052

SCHEMBL4881052

Cc1cc[n+]([O-])cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MYC P01106 1/20 0.35
IDO1 P14902 1/20 0.35
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.34
CSNK2A1 P68400 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
NR4A1 P22736 1/20 0.34
RECQL P46063 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL3659496 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL14738587 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL1015022 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL1015021 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9692230 0.79 MAPT (0.48) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12922449 0.78 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL8847188 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL8546431 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL8550600 0.73 ALDH1A1 (0.51) KMT2AALDH1A1HPGDMAPTPOLB
SCHEMBL21979547 0.72 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 US disclosed
CN-101052625-A As P2X7Adamantyl derivatives of receptor antagonists ASTRAZENECA AB (SE) 2007-10-10 CN disclosed
EP-1786786-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-05-23 EP disclosed
WO-2006025783-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-09 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-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 MEN1 1244/4885KMT2A 3568/4885ALDH1A1 744/4885

“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.