SCHEMBL9504297

SCHEMBL9504297

CC(C)CCOCC(=O)OCCC(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.68
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP19A1 P11511 1/20 0.46
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK1 P28482 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36

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
SCHEMBL27470862 0.92 TDP1 (0.64) TDP1KDM4EHSD17B10ALDH1A1CYP19A1
SCHEMBL28184406 0.90 TDP1 (0.57) TDP1KDM4EHSD17B10ALDH1A1CYP19A1
SCHEMBL4885377 0.90 TDP1 (0.57) TDP1KDM4EHSD17B10ALDH1A1CYP19A1
SCHEMBL28341190 0.88 TDP1 (0.64) TDP1KDM4EHSD17B10ALDH1A1CYP19A1
SCHEMBL23771876 0.87 TDP1 (0.54) TDP1KDM4EHSD17B10ALDH1A1CYP19A1
SCHEMBL5518274 0.83 TDP1 (0.58) TDP1KDM4EHSD17B10ALDH1A1CYP19A1
SCHEMBL27738473 0.83 TDP1 (0.49) TDP1KDM4EHSD17B10ALDH1A1CYP19A1
SCHEMBL31260131 0.83 TDP1 (0.49) TDP1KDM4EHSD17B10ALDH1A1CYP19A1
SCHEMBL273059 0.81 TDP1 (1.00) TDP1KDM4EHSD17B10ALDH1A1CYP19A1
SCHEMBL16467061 0.81 TDP1 (0.47) TDP1KDM4EHSD17B10ALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5000996-A None JP disclosed
JP-5000996-A None JP disclosed
US-12054685-B1 Coupling high yield biochemical intermediates for fuel production NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2024-08-06 US disclosed
JP-H05996-A PRODUCTION OF ISOAMYL GLYCOLIC ACID T HASEGAWA CO LTD 1993-01-08 JP disclosed
JP-H05996-A PRODUCTION OF ISOAMYL GLYCOLIC ACID T HASEGAWA CO LTD 1993-01-08 JP 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-12054685-B1 Coupling high yield biochemical intermediates for fuel production ADH1C, ADH5, CBR3 TDP1 809/4885KDM4E 2757/4885HSD17B10 68/4885

“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.