SCHEMBL5611022

SCHEMBL5611022

O=C(O)C(Br)(Br)C(Br)(Br)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.40
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL25222902 0.84 ALDH1A1 (0.35) ALDH1A1TSHRTP53
SCHEMBL28169036 0.78 TSHR (0.44) ALDH1A1TSHRTP53
SCHEMBL3204789 0.78 ALDH1A1 (0.32) ALDH1A1TSHRTP53
SCHEMBL11730790 0.78 TSHR (0.44) ALDH1A1TSHRTP53
Tribromoacetic Acid SCHEMBL210187 0.76
Tribromoacetic Acid SCHEMBL1331874 0.76
SCHEMBL5610861 0.75 ALDH1A1 (0.30) ALDH1A1TSHRTP53
SCHEMBL25220521 0.75 ALDH1A1 (0.30) ALDH1A1TSHRTP53
SCHEMBL5610830 0.75 ALDH1A1 (0.44) ALDH1A1TSHRTP53CYP1A2
SCHEMBL5610999 0.75 THRB (0.43) ALDH1A1TSHRTP53THRB

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-8445533-B2 Andrographolide derivatives to treat viral infections CORNELL RESEARCH FOUNDATION, INC. (US) 2013-05-21 US disclosed
EP-1817024-A2 ANDROGRAPHOLIDE DERIVATIVES TO TREAT VIRAL INFECTIONS CORNELL RESEARCH FOUNDATION, INC. (US) 2007-08-15 EP disclosed
US-20060223785-A1 Andrographolide derivatives to treat viral infections CORNELL RESEARCH FOUNDATION, INC. 2006-10-05 US disclosed
WO-2006101538-A2 ANDROGRAPHOLIDE DERIVATIVES TO TREAT VIRAL INFECTIONS CORNELL RESEARCH FOUNDATION, INC. (US) 2006-09-28 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-20060223785-A1 Andrographolide derivatives to treat viral infections HAVCR2, MAVS, EIF2AK2 ALDH1A1 897/4885TSHR 4441/4885TP53 1437/4885

“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.