SCHEMBL4885377

SCHEMBL4885377

CC(C)CCOC(=O)COCCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.57
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPK1 P28482 4/20 0.35
PKM P14618 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA4 P43681 2/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL23771876 0.96 TDP1 (0.54) TDP1CYP19A1ALDH1A1KDM4EHSD17B10
SCHEMBL9504297 0.90 TDP1 (0.68) TDP1CYP19A1ALDH1A1KDM4EHSD17B10
SCHEMBL28184406 0.85 TDP1 (0.57) TDP1CYP19A1ALDH1A1KDM4EHSD17B10
SCHEMBL19614904 0.84 TDP1 (0.41) TDP1CYP19A1ALDH1A1KDM4EHSD17B10
SCHEMBL17435832 0.82 TDP1 (0.46) TDP1ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL27470862 0.82 TDP1 (0.64) TDP1CYP19A1ALDH1A1KDM4EHSD17B10
SCHEMBL14521446 0.81 TSHR (0.45) TDP1ALDH1A1HSD17B10MAPK1KMT2A
SCHEMBL2192211 0.81 TSHR (0.45) TDP1ALDH1A1MAPK1KMT2ATSHR
SCHEMBL27970282 0.79 TDP1 (0.44) TDP1ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL28250371 0.79 TSHR (0.43) TDP1ALDH1A1MAPK1KMT2ATSHR

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
CN-113412449-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element using same 日产化学株式会社 2021-09-17 CN disclosed
US-8084643-B2 Nitrogen-containing esters of the secondary alcohol group of florfenicol and of its analogs,including salts; veterinary medicine; nonhydrolyzing as needed to maintain the prodrug in aqueous solution in the subjects system until appropriate; cattle drinking water; bovine respiratory disease INTERVET INC. (US) 2011-12-27 US disclosed
US-20080188556-A1 Water-Soluble Prodrugs of Florfenicol and its Analogs SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2008-08-07 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-20080188556-A1 Water-Soluble Prodrugs of Florfenicol and its Analogs PFAS, ADH5, SI TDP1 860/4885CYP19A1 509/4885ALDH1A1 312/4885

“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.