SCHEMBL29884381

SCHEMBL29884381

CCC1(O)CC(OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)c2c(O)c3c(c(O)c2C1OC1CC(N(C)C)C(OC2CC(O)C(OC4CCC(=O)C(C)O4)C(C)O2)C(C)O1)C(=O)c1cccc(O)c1C3=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.67
MMP2 P08253 3/20 0.67
HTR2B P41595 2/20 0.67
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53
MEN1 O00255 11/20 0.49
KMT2A Q03164 11/20 0.49
RECQL P46063 7/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
USP2 O75604 4/20 0.49
CYP3A4 P08684 4/20 0.49
TP53 P04637 2/20 0.49
HBB P68871 1/20 0.49
BLM P54132 9/20 0.45
THRB P10828 9/20 0.45
KDM4E B2RXH2 4/20 0.45
CASP1 P29466 2/20 0.45
HSD17B10 Q99714 2/20 0.45
S100A4 P26447 4/20 0.39

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
SCHEMBL30504362 0.93 PTGS1 (0.56) PTGS1MMP2HTR2BFNTAFNTB
Rodorubicin SCHEMBL29352818 0.92 MEN1 (0.58) PTGS1MMP2HTR2BFNTAFNTB
Rodorubicin SCHEMBL8693 0.92 MEN1 (0.58) PTGS1MMP2HTR2BFNTAFNTB
SCHEMBL29403905 0.92 PTGS1 (0.54) PTGS1MMP2HTR2BFNTAFNTB
SCHEMBL29356967 0.89 PTGS1 (0.57) PTGS1MMP2HTR2BFNTAFNTB
SCHEMBL29557045 0.87 MMP2 (0.58) PTGS1MMP2HTR2BFNTAFNTB
SCHEMBL29381144 0.87 PTGS1 (0.50) PTGS1MMP2HTR2BFNTAFNTB
SCHEMBL29467023 0.87 PTGS1 (0.77) PTGS1MMP2HTR2BFNTAFNTB
SCHEMBL30864532 0.85 PTGS1 (0.65) PTGS1MMP2HTR2BFNTAFNTB
SCHEMBL31237728 0.84 PTGS1 (0.88) PTGS1MMP2HTR2BFNTAFNTB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250109444-A1 DNA HYPOMETHYLATION AS A PREDICTIVE MARKER FOR CANCER THERAPY FRED HUTCHINSON CANCER CENTER (US) 2025-04-03 US claimed
US-20250109444-A1 DNA HYPOMETHYLATION AS A PREDICTIVE MARKER FOR CANCER THERAPY FRED HUTCHINSON CANCER CENTER (US) 2025-04-03 US disclosed
US-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 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-20250109444-A1 DNA HYPOMETHYLATION AS A PREDICTIVE MARKER FOR CANCER THERAPY DNMT1, DNMT3B, DNMT3A PTGS1 4202/4885MMP2 2017/4885HTR2B 2637/4885

“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.