SCHEMBL4954681

SCHEMBL4954681

CC(C)c1cc(C(c2ccc(O)c(C(C)C)c2)c2cc(C34CC5CC(C3)CC(c3cc(C(C)C)c(O)c(C(c6ccc(O)c(C(C)C)c6)c6ccc(O)c(C(C)C)c6)c3)(C5)C4)cc(C(C)C)c2O)ccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SPHK2 Q9NRA0 2/20 0.31
SPHK1 Q9NYA1 2/20 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
SCHEMBL4955270 0.92 RORC (0.34) POLBMEN1KMT2AGAAGFER
SCHEMBL4957122 0.92 POLB (0.35) POLBMEN1KMT2AGAAGFER
SCHEMBL4954216 0.91 POLB (0.35) POLBMEN1KMT2AGAAGFER
SCHEMBL4953914 0.90 MEN1 (0.44) POLBMEN1KMT2AGAAGFER
SCHEMBL4953614 0.88 ESR1 (0.40) POLBMEN1KMT2AGAAGFER
SCHEMBL4953588 0.88 MEN1 (0.33) POLBMEN1KMT2AGAAGFER
SCHEMBL4957088 0.87 GABRA1 (0.36) POLBMEN1KMT2AGAAGFER
SCHEMBL4956104 0.85 NUDT1 (0.33) POLBMEN1KMT2AGAAGFER
SCHEMBL4264044 0.83 MEN1 (0.53) POLBMEN1KMT2AGAAGFER
SCHEMBL4956304 0.82 RORC (0.34) POLBMEN1KMT2AGAAGFER

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-7456323-B2 1,3-bis(3-formyl-4-hydroxyphenyl)adamantanes and polynuclear polyphenols derived therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2008-11-25 US disclosed
US-20080242896-A1 1,3-Bis(3-Formyl-4-Hydroxyphenyl)Adamantanes and Polynuclear Polyphenols Derived Therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2008-10-02 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-20080242896-A1 1,3-Bis(3-Formyl-4-Hydroxyphenyl)Adamantanes and Polynuclear Polyphenols Derived Therefrom HNMT, NEFM, CD69 POLB 457/4885MEN1 4682/4885KMT2A 2847/4885

“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.