SCHEMBL25860652

SCHEMBL25860652

COC(=O)[C@H]1C(=O)CCO[C@@H]1c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL22063573 0.87 BACE1 (0.44) CA1CA2MEN1LMNAKMT2A
SCHEMBL25860654 0.82 PDE4D (0.40)
SCHEMBL22063576 0.81 PDE4D (0.48) SMN1; SMN2TP53
SCHEMBL25860646 0.80 ALDH1A1 (0.41) TDP1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL22063759 0.77 ACHE (0.48) MEN1KMT2A
SCHEMBL22063651 0.77 ALDH1A1 (0.41) LMNAHTTSMN1; SMN2TP53
SCHEMBL22063648 0.71 ALDH1A1 (0.40) SLC6A3SLC6A2SLC6A4CA1CA2
SCHEMBL7906590 0.70 TSHR (0.54) SLC6A3SLC6A2SLC6A4CA1CA2
SCHEMBL7906596 0.70 TSHR (0.54) SLC6A3SLC6A2SLC6A4CA1CA2
SCHEMBL7902731 0.70 TSHR (0.54) SLC6A3SLC6A2SLC6A4CA1CA2

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-11691958-B2 Enantioselective cross dehydrogenative coupling reactions and compounds synthesized by the reactions NORTHWESTERN UNIVERSITY (US) 2023-07-04 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-11691958-B2 Enantioselective cross dehydrogenative coupling reactions and compounds synthesized by the reactions DUOX1, DUOX2, ALDH3A1 SLC6A3 2214/4885SLC6A2 3001/4885SLC6A4 2853/4885

“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.