Withaferin A

Withaferin A

SCHEMBL17807718

CC1=C(CO)C(=O)OC([C@@H](C)[C@H]2CCC3C4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)C6(C)C4CCC32C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 17/20 1.00
NFKB2 Q00653 17/20 1.00
RELA Q04206 17/20 1.00
NPC1 O15118 1/20 1.00
POLB P06746 1/20 1.00
MAPT P10636 1/20 1.00
HTT P42858 1/20 1.00
RAB9A P51151 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
CLPX O76031 1/20 0.81
VCP P55072 1/20 0.81
RORA P35398 1/20 0.50

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
Withaferin A SCHEMBL12309163 1.00 NFKB1 (1.00) NFKB1NFKB2RELANPC1POLB
Withaferin A SCHEMBL29398581 1.00 NFKB1 (1.00) NFKB1NFKB2RELANPC1POLB
Withaferin A SCHEMBL30782710 1.00 NFKB1 (1.00) NFKB1NFKB2RELANPC1POLB
Withaferin A SCHEMBL12309137 1.00 NFKB1 (1.00) NFKB1NFKB2RELANPC1POLB
Withaferin A SCHEMBL20136632 1.00 NFKB1 (1.00) NFKB1NFKB2RELANPC1POLB
Withaferin A SCHEMBL24075907 1.00 NFKB1 (1.00) NFKB1NFKB2RELANPC1POLB
Withaferin A SCHEMBL11950371 1.00 NFKB1 (1.00) NFKB1NFKB2RELANPC1POLB
Withaferin A SCHEMBL157208 1.00 NFKB1 (1.00) NFKB1NFKB2RELANPC1POLB
Withaferin A SCHEMBL18372363 1.00 NFKB1 (1.00) NFKB1NFKB2RELANPC1POLB
SCHEMBL12309145 0.94 NFKB1 (1.00) NFKB1NFKB2RELANPC1POLB

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-20160158152-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIMINUTION OF BONE TISSUE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-09 US disclosed
US-20160158152-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIMINUTION OF BONE TISSUE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-09 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-20160158152-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIMINUTION OF BONE TISSUE WNT3A, DKK1, WNT3 NFKB1 1864/4885NFKB2 714/4885RELA 3949/4885

“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.