SCHEMBL25448348

SCHEMBL25448348

COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccc3c(c2-c2c(P(c4cc(C(C)(C)C)c(C)c(C(C)(C)C)c4)c4cc(C(C)(C)C)c(C)c(C(C)(C)C)c4)ccc4c2OCO4)OCO3)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
NQO2 P16083 1/20 0.33
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SOST Q9BQB4 1/20 0.31
DYRK1A Q13627 1/20 0.30
GSK3B P49841 2/20 0.30
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATR Q13535 1/20 0.30
NQO1 P15559 1/20 0.30
POLB P06746 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
SCHEMBL28341 0.95 CYP19A1 (0.36) CYP19A1NQO2KDM4ELMNASOST
SCHEMBL29565868 0.95 CYP19A1 (0.36) CYP19A1NQO2KDM4ELMNASOST
SCHEMBL29424759 0.95 CYP19A1 (0.36) CYP19A1NQO2KDM4ELMNASOST
SCHEMBL30393960 0.94 CYP19A1 (0.35) CYP19A1NQO2KDM4ELMNASOST
Acetic Acid SCHEMBL29538014 0.88 TARBP2 (0.34) CYP19A1NQO2KDM4ELMNANQO1
SCHEMBL18810594 0.87 POLB (0.33) CYP19A1NQO2KDM4ELMNAACHE
SCHEMBL431846 0.86 KDM4E (0.32) CYP19A1NQO2KDM4ELMNASOST
SCHEMBL18187041 0.86
SCHEMBL1144617 0.84 CYP19A1 (0.33) CYP19A1NQO2
SCHEMBL5896988 0.82 NQO2 (0.38) CYP19A1NQO2KDM4ELMNASOST

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-20230143448-A1 HYDROGENATION OF L-SORBOSE BASF SE (DE) 2023-05-11 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-20230143448-A1 HYDROGENATION OF L-SORBOSE LDHA, ALPL, MPI CYP19A1 3152/4885NQO2 1144/4885KDM4E 3670/4885

“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.