SCHEMBL26535396

SCHEMBL26535396

CC(=O)OCC1O[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)[C@H]1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
THRB P10828 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CA2 P00918 10/20 0.49
LMNA P02545 2/20 0.48
TSHR P16473 1/20 0.46
NR3C1 P04150 1/20 0.46
FYN P06241 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADRA2B P18089 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CA12 O43570 9/20 0.45
CA1 P00915 8/20 0.45
CA9 Q16790 7/20 0.45
CA4 P22748 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA5B Q9Y2D0 2/20 0.42

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
SCHEMBL12136363 1.00 CYP2D6 (0.54) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL10310559 1.00 CYP2D6 (0.54) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL25484579 1.00 CYP2D6 (0.54) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL10028968 1.00 CYP2D6 (0.54) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL6997925 1.00 CYP2D6 (0.54) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL16939977 1.00 CYP2D6 (0.54) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL16546896 1.00 CYP2D6 (0.54) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL15480324 1.00 CYP2D6 (0.54) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL26824159 1.00 CYP2D6 (0.54) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL15504376 1.00 CYP2D6 (0.54) CYP2D6THRBHSD17B10CA2LMNA

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-20230321284-A1 COMPOUND, CONTRAST AGENT, AND METHOD FOR PRODUCING COMPOUND ST. MARIANNA UNIVERSITY SCHOOL OF MEDICINE (JP) 2023-10-12 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-20230321284-A1 COMPOUND, CONTRAST AGENT, AND METHOD FOR PRODUCING COMPOUND RXFP1, AVPR2, RXFP3 CYP2D6 3235/4885THRB 3616/4885HSD17B10 4298/4885

“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.