SCHEMBL25455341

SCHEMBL25455341

CC(C)(C)OC(=O)CCCCCCOc1cc(CCl)cc(CCl)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.45
CNR2 P34972 15/20 0.42
CNR1 P21554 14/20 0.42
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38

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
SCHEMBL25455345 0.90 CNR2 (0.46) HDAC8CNR2CNR1
SCHEMBL25455352 0.80 CA12 (0.46) HDAC8CNR2CNR1CA12CA1
SCHEMBL25455340 0.79 ALB (0.48) CNR2CNR1
SCHEMBL25456639 0.78 CNR2 (0.48) CNR2CNR1
SCHEMBL557650 0.77 HDAC8 (0.44) HDAC8CNR2CNR1
SCHEMBL712992 0.77 HDAC1 (0.59) HDAC8
SCHEMBL14544471 0.77 HDAC1 (0.59) HDAC8
SCHEMBL25456682 0.76 CA1 (0.43) CA12CA1CA2CA9
SCHEMBL30696861 0.76 PLA2G4B (0.61) HDAC8
SCHEMBL13008095 0.75 HDAC8 (0.35) HDAC8CNR2CNR1

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-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM QUANTUM INTELLIGENCE CORP. (KR) 2023-05-11 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-20230145835-A1 Modulators of Alpha-4-beta-7 Integrin and MAdCAM ITGB7, ITGAM, ITGA4 HDAC8 673/4885CNR2 3146/4885CNR1 2760/4885

“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.