SCHEMBL26039161

SCHEMBL26039161

CCO[C@H]1CCCC[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPY4R P50391 1/20 0.38
NPY5R Q15761 1/20 0.38
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL30618516 1.00 GSR (0.42) GSRCA1CA2CA4ALDH1A1
SCHEMBL26598048 1.00 GSR (0.42) GSRCA1CA2CA4ALDH1A1
SCHEMBL5699479 1.00 GSR (0.42) GSRCA1CA2CA4ALDH1A1
SCHEMBL8970301 0.98 GSR (0.44) GSRCA1CA2CA4ALDH1A1
SCHEMBL8969202 0.98 GSR (0.44) GSRCA1CA2CA4ALDH1A1
SCHEMBL23133685 0.95
SCHEMBL23108732 0.95
SCHEMBL8970449 0.95
SCHEMBL23425900 0.95
SCHEMBL23133681 0.95

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
US-20230357271-A1 MACROCYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2023-11-09 US disclosed
US-20230357271-A1 MACROCYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2023-11-09 US disclosed
EP-4223368-A1 MACROCYCLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP 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-20230357271-A1 MACROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 GSR 4843/4885CA1 4610/4885CA2 3686/4885

“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.