SCHEMBL25860646

SCHEMBL25860646

COC(=O)[C@H]1C(=O)CCO[C@@H]1c1cc(OC)c(C)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN1 P18031 2/20 0.38
PPARD Q03181 1/20 0.38
GAA P10253 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ACHE P22303 1/20 0.35
PDE4D Q08499 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP6 P55212 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.34

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
SCHEMBL22063759 0.90 ACHE (0.48) MEN1KMT2APTPN1ABCB1ACHE
SCHEMBL25860654 0.86 PDE4D (0.40) PTPN1PPARDGAAPDE4D
SCHEMBL22063576 0.86 PDE4D (0.48) ALDH1A1ACHEPDE4DSMN1; SMN2
SCHEMBL25860652 0.80 SLC6A3 (0.38) LMNAMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL22063573 0.78 BACE1 (0.44) ALDH1A1USP2LMNAMEN1KMT2A
SCHEMBL22063647 0.69 NFE2L2 (0.44) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL3301366 0.65 CYP1A2 (0.46) ALDH1A1KMT2AGAA
SCHEMBL22063648 0.65 ALDH1A1 (0.40) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL3112694 0.65 ALDH1A1 (0.35) ALDH1A1KMT2APTPN1
SCHEMBL22063652 0.64 ALDH1A1 (0.37) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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 ALDH1A1 149/4885POLB 487/4885USP2 3835/4885

“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.