SCHEMBL4881566

SCHEMBL4881566

O=C(O)c1cc(-c2ccccc2C(=O)O)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
PTGER1 P34995 1/20 0.58
TP53 P04637 1/20 0.58
P2RX7 Q99572 1/20 0.57
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
PLA2G1B P04054 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
GRIK1 P39086 1/20 0.50
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
GRIK2 Q13002 1/20 0.50
GRIK3 Q13003 1/20 0.50
PTPN11 Q06124 1/20 0.49
ACMSD Q8TDX5 2/20 0.49
MCL1 Q07820 2/20 0.49

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
SCHEMBL3542609 0.89 PTGER1 (0.56) ALDH1A1PTGER1TP53P2RX7AKR1C2
SCHEMBL6255705 0.85 P2RX7 (0.48) ALDH1A1PTGER1TP53P2RX7POLB
SCHEMBL5924817 0.85 MCL1 (0.69) ALDH1A1PTGER1TP53P2RX7POLB
SCHEMBL29369970 0.83 ALDH1A1 (0.56) ALDH1A1GAAPTPN11ACMSDMCL1
SCHEMBL122520 0.83 ACMSD (0.63) ALDH1A1PTGER1TP53POLBMEN1
SCHEMBL2771204 0.82 ALDH1A1 (0.68) ALDH1A1PTGER1TP53POLBKMT2A
SCHEMBL15331304 0.82 EIF4E (0.55) ALDH1A1PTGER1TP53P2RX7POLB
SCHEMBL23354547 0.81 FTO (0.53) ALDH1A1P2RX7PTPN11MCL1AKR1C2
SCHEMBL31161066 0.81 CHRM1 (0.53) ALDH1A1P2RX7ACMSDAKR1C2AKR1C1
SCHEMBL18759613 0.80 HNF4A (0.63) ALDH1A1MEN1KMT2AKDM4ENPC1

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-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 US disclosed
EP-1844003-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR AstraZeneca AB (SE) 2007-10-17 EP disclosed
EP-1786786-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-05-23 EP disclosed
WO-2006080884-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR ASTRAZENECA AB (SE) 2006-08-03 WO 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 (2 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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 ALDH1A1 719/4885PTGER1 219/4885TP53 2543/4885
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 ALDH1A1 744/4885PTGER1 327/4885TP53 1922/4885

“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.