SCHEMBL25879301

SCHEMBL25879301

O=C(OC[C@@H]1CO1)C1CCCC[C@@H]1C(=O)OCC1CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 1.00
CYP3A4 P08684 1/20 1.00
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.37
MGLL Q99685 2/20 0.37
KMT2A Q03164 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
SCHEMBL124728 1.00 TP53 (1.00) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL25878999 1.00 TP53 (1.00) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL7198838 1.00 TP53 (1.00) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL8733512 1.00 TP53 (1.00) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL8728323 1.00 TP53 (1.00) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL18513488 1.00 TP53 (1.00) TP53CYP3A4ALDH1A1LMNAPOLB
Water SCHEMBL20099543 0.98 TP53 (0.96) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL31688129 0.96 TP53 (0.92) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL15397390 0.93 TP53 (0.86) TP53CYP3A4ALDH1A1LMNAPOLB
SCHEMBL15397387 0.93 TP53 (0.86) TP53CYP3A4ALDH1A1LMNAPOLB

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-20230212133-A1 Safe, Environmentally Friendly and Controllable Method for Preparing Cycloaliphatic Diepoxides JIANGSU TETRA NEW MATERIAL TECHNOLOGY CO., LTD. (CN) 2023-07-06 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-20230212133-A1 Safe, Environmentally Friendly and Controllable Method for Preparing Cycloaliphatic Diepoxides DDT, EPHX2, HSD11B2 TP53 4187/4885CYP3A4 609/4885ALDH1A1 466/4885

“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.