SCHEMBL16869447

SCHEMBL16869447

COC1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CA9 Q16790 6/20 0.39
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.34
CYP2D6 P10635 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
OGA O60502 1/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR3C1 P04150 1/20 0.33
FYN P06241 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADRA2B P18089 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL7153104 1.00 ALDH1A1 (0.42) ALDH1A1CA9CA12CA1CA2
SCHEMBL20581903 1.00 ALDH1A1 (0.42) ALDH1A1CA9CA12CA1CA2
SCHEMBL7146522 1.00 ALDH1A1 (0.42) ALDH1A1CA9CA12CA1CA2
SCHEMBL21819708 1.00 ALDH1A1 (0.42) ALDH1A1CA9CA12CA1CA2
SCHEMBL16869483 0.90 CA9 (0.35) ALDH1A1CA9CA12CA1CA2
SCHEMBL21510391 0.87 TSHR (0.44) ALDH1A1CA9CA12CA1CA2
SCHEMBL7151917 0.87 TSHR (0.44) ALDH1A1CA9CA12CA1CA2
SCHEMBL7154470 0.87 TSHR (0.44) ALDH1A1CA9CA12CA1CA2
SCHEMBL8358880 0.87 TSHR (0.44) ALDH1A1CA9CA12CA1CA2
SCHEMBL7152812 0.87 TSHR (0.44) ALDH1A1CA9CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634430-B1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2024-08-07 EP disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2023-09-21 US disclosed
US-20200101030-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME KINTAI THERAPEUTICS, INC. 2020-04-02 US disclosed
WO-2015099362-A1 D-PINITOL PRODRUG AND METHOD FOR PREPARING SAME 제일약품주식회사 2015-07-02 WO 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 (2 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-20200101030-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL ALDH1A1 1112/4885CA9 185/4885CA12 48/4885
US-20230293458-A1 MULTIBIOTIC AGENTS AND METHODS OF USING THE SAME SI, FABP2, CEL ALDH1A1 1112/4885CA9 185/4885CA12 48/4885

“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.