SCHEMBL9943141

SCHEMBL9943141

CCC(C)C1CC(=O)N(CCC(C)=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
BRD4 O60885 4/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
PKM P14618 1/20 0.32
MME P08473 1/20 0.31
CYP19A1 P11511 1/20 0.31
FKBP1A P62942 1/20 0.31

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
SCHEMBL26242999 0.87 ALDH1A1 (0.34) ALDH1A1POLBCYP2D6CYP2C19HIF1A
SCHEMBL3018592 0.86 POLB (0.34) ALDH1A1BRD4POLBPKMMME
SCHEMBL19287544 0.83 BRD4 (0.37) ALDH1A1BRD4POLBCYP2C19PKM
SCHEMBL23714721 0.81 PTGS1 (0.43)
SCHEMBL24854489 0.80 CYP19A1 (0.36) ALDH1A1POLBCYP19A1FKBP1A
SCHEMBL24950149 0.80 HDAC3 (0.37) ALDH1A1POLBCYP19A1FKBP1A
SCHEMBL18557347 0.79 LMNA (0.43) ALDH1A1POLBCYP2C19PKM
SCHEMBL26049780 0.79 ALDH1A1 (0.34) ALDH1A1BRD4CYP2C19
SCHEMBL24228211 0.79 HDAC3 (0.37) ALDH1A1CYP2C19FKBP1A
SCHEMBL25918038 0.79 PAOX (0.38) ALDH1A1CYP2C19CYP19A1

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-20120148600-A1 Anti-CD79B Antibodies and Immunoconjugates and Methods of Use GENENTECH, INC. 2012-06-14 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-20120148600-A1 Anti-CD79B Antibodies and Immunoconjugates and Methods of Use CD99, CD79B, CD47 ALDH1A1 2554/4885BRD4 2913/4885POLB 1320/4885

“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.