SCHEMBL26575548

SCHEMBL26575548

CCCCC(C)C(=O)/C=C\C(=O)C(CC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.52
MAPK1 P28482 2/20 0.52
CA1 P00915 6/20 0.50
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
FDPS P14324 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL15386604 0.79 CA1 (0.45) CA2MAPK1CA1SMN1; SMN2TSHR
SCHEMBL26575537 0.78 HDAC1 (0.50) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL28061879 0.76 CA2 (0.59) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL27709102 0.76 CA1 (0.50) CA2MAPK1CA1SMN1; SMN2TSHR
SCHEMBL14285858 0.76 USP2 (0.34) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL30924819 0.75 CA2 (0.57) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL28301189 0.74 CA2 (0.47) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL11751550 0.74 CA1 (0.48) CA2MAPK1CA1SMN1; SMN2TSHR
SCHEMBL30924792 0.74 CA2 (0.47) CA2MAPK1CA1SLC1A3SLC1A2
SCHEMBL515105 0.73 CA2 (0.67) CA2MAPK1CA1SLC1A3SLC1A2

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-20230331691-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME Corsair Pharma, Inc. 2023-10-19 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-20230331691-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 CA2 1086/4885MAPK1 1994/4885CA1 3025/4885

“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.