SCHEMBL25635640

SCHEMBL25635640

CC(=O)CC(=O)CC(C)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HTT P42858 1/20 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
SCHEMBL12202942 0.83 ALDH1A1 (0.42) ALDH1A1TDP1KDM4EKDM6BKDM5C
SCHEMBL25635641 0.82
SCHEMBL110123 0.77 ALDH1A1 (0.60) ALDH1A1TDP1KDM4EKDM6BKDM5C
SCHEMBL8729467 0.75 ALDH1A1 (0.57) ALDH1A1TDP1KDM4EKDM6BKDM5C
SCHEMBL29053210 0.75 ALDH1A1 (0.57) ALDH1A1TDP1KDM4EKDM6BKDM5C
SCHEMBL27938173 0.75 ALDH1A1 (0.57) ALDH1A1TDP1KDM4EKDM6BKDM5C
SCHEMBL27492453 0.75 ALDH1A1 (0.57) ALDH1A1TDP1KDM4EKDM6BKDM5C
SCHEMBL5665861 0.75 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EKDM6BKDM5C
SCHEMBL30522387 0.75 ALDH1A1 (0.57) ALDH1A1TDP1KDM4EKDM6BKDM5C
SCHEMBL7846704 0.75 ALDH1A1 (0.57) ALDH1A1TDP1KDM4EKDM6BKDM5C

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-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 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 (2 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-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 ALDH1A1 1238/4885TDP1 4136/4885KDM4E 2108/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 ALDH1A1 1885/4885TDP1 4317/4885KDM4E 1660/4885

“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.