SCHEMBL24227113

SCHEMBL24227113

CC(C)(C)CC(C)(C)c1ccc(-c2ccc(-c3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.48
KIF11 P52732 5/20 0.45
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MDH1 P40925 1/20 0.39
MDH2 P40926 1/20 0.39
DHODH Q02127 1/20 0.37
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SERPINE1 P05121 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL20951293 0.94 SHBG (0.53) SHBGKIF11CYP3A4SMN1; SMN2MDH1
SCHEMBL411772 0.89 SHBG (0.59) SHBGCYP3A4SMN1; SMN2MDH1MDH2
SCHEMBL13321302 0.84 KIF11 (0.57) KIF11SMN1; SMN2DHODHXDHSLC22A12
SCHEMBL2957181 0.84 KIF11 (0.57) KIF11SMN1; SMN2DHODHXDHSLC22A12
SCHEMBL10515698 0.82 SHBG (0.67) SHBGKIF11CYP3A4SMN1; SMN2MDH1
SCHEMBL8962181 0.81 SHBG (0.52) SHBGCYP3A4SMN1; SMN2MDH1MDH2
SCHEMBL465314 0.81 SHBG (0.47) SHBGCYP3A4SMN1; SMN2MDH1MDH2
SCHEMBL49741 0.78 TSHR (0.52) KIF11SMN1; SMN2DHODHABCG2
SCHEMBL2392625 0.78 TSHR (0.52) KIF11SMN1; SMN2DHODHABCG2
SCHEMBL24520685 0.77 SHBG (0.47) SHBGCYP3A4SMN1; SMN2MDH1MDH2

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-11239426-B2 Electroactive compounds LG CHEM, LTD. 2022-02-01 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-11239426-B2 Electroactive compounds KCNN2, HCN2, KCNN3 SHBG 471/4885KIF11 3639/4885CYP3A4 310/4885

“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.