SCHEMBL25547458

SCHEMBL25547458

OCCCC(F)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX1 P07099 3/20 0.33
SHBG P04278 1/20 0.33
DPP4 P27487 4/20 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
SCHEMBL28488917 0.78 SHBG (0.43) EPHX1SHBG
SCHEMBL11668319 0.77 EPHX1 (0.46) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5597949 0.77 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5598316 0.77 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL5597950 0.77 TP53 (0.41) TP53KDM4EGMNNLMNAMAPT
SCHEMBL7888229 0.76 SHBG (0.39) SHBG
SCHEMBL2035572 0.76 TP53 (0.52) TP53KDM4EGMNNLMNAMAPT
SCHEMBL8775662 0.75 SHBG (0.40) MAPTEPHX1SHBG
SCHEMBL16892649 0.74 ALDH1A1 (0.37) TP53KDM4EGMNNLMNAMAPT
SCHEMBL11869138 0.74 TP53 (0.35) TP53KDM4EGMNNLMNAMAPT

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-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME LLC (US) 2023-05-23 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-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 TP53 3943/4885KDM4E 1375/4885GMNN 4250/4885

“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.