SCHEMBL25936745

SCHEMBL25936745

CC(C)(C)c1cc2c(OCC(=O)O)c(c1)Cc1cc(C(C)(C)C)cc(c1OOCC=O)Cc1cc(C(C)(C)C)cc(c1OOCC=O)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)C2

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 4/20 0.73
ELANE P08246 1/20 0.73
TLR4 O00206 3/20 0.43
CD14 P08571 3/20 0.43
LY96 Q9Y6Y9 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.33
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
MCL1 Q07820 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 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
SCHEMBL2217463 0.85 CD69 (1.00) CD69ELANETLR4CD14LY96
SCHEMBL2184946 0.85 CD69 (1.00) CD69ELANETLR4CD14LY96
SCHEMBL29299544 0.79 CD69 (0.86) CD69ELANETLR4CD14LY96
SCHEMBL16545626 0.78 CD69 (0.83) CD69ELANETLR4CD14LY96
SCHEMBL38660826 0.76 CD69 (0.79) CD69ELANETLR4CD14LY96
SCHEMBL16545624 0.74 CD69 (0.75) CD69ELANETLR4CD14LY96
SCHEMBL30279470 0.72 CD69 (0.72) CD69ELANETLR4CD14LY96
SCHEMBL28137526 0.72 CD69 (0.72) CD69ELANETLR4CD14LY96
SCHEMBL23631852 0.71 CD69 (0.70) CD69ELANETLR4CD14LY96
SCHEMBL20994043 0.70 CD69 (0.68) CD69ELANETLR4CD14LY96

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-20230248854-A1 METHOD FOR PRODUCING RADIOACTIVE METAL-LABELED ANTIBODY NIHON MEDI-PHYSICS CO., LTD. (JP) 2023-08-10 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-20230248854-A1 METHOD FOR PRODUCING RADIOACTIVE METAL-LABELED ANTIBODY CD4, PTMS, TAC3 CD69 531/4885ELANE 3995/4885TLR4 4693/4885

“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.