SCHEMBL5115564

SCHEMBL5115564

CC(C)(C)OC(=O)c1cc(-c2ncc(Cl)cc2C(=O)O)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGS2 P35354 1/20 0.38
DHODH Q02127 1/20 0.38
XDH P47989 1/20 0.38
PRKAG1 P54619 3/20 0.37
PRKAA1 Q13131 3/20 0.37
PRKAB1 Q9Y478 3/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37

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
SCHEMBL5111947 0.85 ALDH1A1 (0.56) TP53ALDH1A1PTGS2DHODHXDH
SCHEMBL7858859 0.76 ALDH1A1 (0.53) TP53ALDH1A1NPC1LMNAHPGD
SCHEMBL4880618 0.75 PTGER1 (0.41) ALDH1A1DHODHPTGER1KMOKDM4E
SCHEMBL5126866 0.73 KMO (0.39) KMOHSD17B10EIF4E
SCHEMBL1929517 0.72 TSHR (0.50) TP53ALDH1A1KMOKDM4ENPC1
SCHEMBL27755305 0.70 ALDH1A1 (0.50) TP53ALDH1A1GABRA1GABRG2GABRB3
SCHEMBL10894740 0.69 RXFP1 (0.39) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL3993408 0.69 ALDH1A1 (0.49) TP53ALDH1A1GABRA1GABRG2GABRB3
Ethane SCHEMBL4640067 0.69 ALDH1A1 (0.49) TP53ALDH1A1GABRA1GABRG2GABRB3
SCHEMBL6466459 0.69 CFD (0.45) ALDH1A1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2006080884-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR ASTRAZENECA AB (SE) 2006-08-03 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-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 TP53 2543/4885ALDH1A1 719/4885PTGS2 1123/4885

“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.