Andrographolide

Andrographolide

SCHEMBL14029461

C=C1CCC2C(C)(CO)C(O)CCC2(C)C1C/C=C1\C(=O)OCC1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 1.00
TP53 P04637 2/20 1.00
CYP3A4 P08684 2/20 1.00
FABP4 P15090 1/20 1.00
NFKB1 P19838 1/20 1.00
LMNA P02545 1/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
STAT3 P40763 13/20 0.72
MGAM O43451 1/20 0.55
TRPV3 Q8NET8 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
Andrographolide SCHEMBL19704806 1.00 NR1H4 (1.00) NR1H4TP53CYP3A4FABP4NFKB1
Andrographolide SCHEMBL12777642 1.00 NR1H4 (1.00) NR1H4TP53CYP3A4FABP4NFKB1
Andrographolide SCHEMBL15263160 1.00 NR1H4 (1.00) NR1H4TP53CYP3A4FABP4NFKB1
Andrographolide SCHEMBL62262 1.00 NR1H4 (1.00) NR1H4TP53CYP3A4FABP4NFKB1
Andrographolide SCHEMBL12206780 1.00 NR1H4 (1.00) NR1H4TP53CYP3A4FABP4NFKB1
Andrographolide SCHEMBL24806666 1.00 NR1H4 (1.00) NR1H4TP53CYP3A4FABP4NFKB1
Andrographolide SCHEMBL12750463 1.00 NR1H4 (1.00) NR1H4TP53CYP3A4FABP4NFKB1
Andrographolide SCHEMBL3668454 1.00 NR1H4 (1.00) NR1H4TP53CYP3A4FABP4NFKB1
Andrographolide SCHEMBL20828610 1.00 NR1H4 (1.00) NR1H4TP53CYP3A4FABP4NFKB1
Andrographolide SCHEMBL62263 1.00 NR1H4 (1.00) NR1H4TP53CYP3A4FABP4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080267948-A1 Croos-B Structure Binding Compounds CROSSBETA BIOSCIENCES B.V. (NL) 2008-10-30 US disclosed
US-20080267948-A1 Croos-B Structure Binding Compounds CROSSBETA BIOSCIENCES B.V. (NL) 2008-10-30 US 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-20080267948-A1 Croos-B Structure Binding Compounds CACYBP, TBCB, MYCBP NR1H4 2670/4885TP53 2046/4885CYP3A4 3998/4885

“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.