SCHEMBL6793773

SCHEMBL6793773

O=C(O)c1n[nH]c2c1CC(c1ccccc1)c1cc(O)ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 12/20 0.48
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOB P27338 2/20 0.38
AR P10275 1/20 0.38
CYP19A1 P11511 1/20 0.38
MAOA P21397 1/20 0.38
PSMB5 P28074 1/20 0.38
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38

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
SCHEMBL6786978 0.91 ALDH1A1 (0.41) HCAR2ALDH1A1GAAHPGDHSD17B10
SCHEMBL6788457 0.81 HCAR2 (0.39) HCAR2CYP19A1
SCHEMBL6800372 0.79 HCAR2 (0.43) HCAR2
SCHEMBL6790823 0.73 JAK2 (0.36) CYP19A1
SCHEMBL6787520 0.69 JAK2 (0.37) HCAR2
SCHEMBL8220088 0.64 ALDH1A1 (0.56) ALDH1A1GAAHPGDHSD17B10MAOB
SCHEMBL3206132 0.64 GSR (0.53) HCAR2ALDH1A1
SCHEMBL6301379 0.64 ALDH1A1 (0.49) ALDH1A1GAAHPGDHSD17B10MAOB
SCHEMBL13935693 0.64 HCAR2 (1.00) HCAR2
SCHEMBL4242874 0.63 HCAR2 (0.43) HCAR2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed

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-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 HCAR2 1767/4885ALDH1A1 4449/4885GAA 3667/4885

“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.