SCHEMBL9946573

SCHEMBL9946573

CC(C)OCC(C)ONC(=O)/C=C/c1ccc(CNC2(C(=O)OC3CCCC3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.38
HDAC3 O15379 9/20 0.38
HDAC8 Q9BY41 7/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC4 P56524 4/20 0.38
HDAC5 Q9UQL6 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MEF2D Q14814 2/20 0.34
HDAC2 Q92769 6/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
TPSAB1 Q15661 2/20 0.32
TPSD1 Q9BZJ3 2/20 0.32
TPSG1 Q9NRR2 2/20 0.32

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
SCHEMBL9946575 0.97 HDAC1 (0.39) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL9895879 0.89 SMN1; SMN2 (0.38) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL7897506 0.89 SMN1; SMN2 (0.38) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL9895162 0.85 HDAC3 (0.39) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL7896386 0.85 HDAC3 (0.39) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL10072240 0.83 SMN1; SMN2 (0.36) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL7897375 0.83 HDAC3 (0.55) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL181804 0.83 HDAC3 (0.55) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL7897348 0.81 SMN1; SMN2 (0.37) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL7896020 0.80 HDAC3 (0.54) HDAC1HDAC3HDAC8HDAC6HDAC4

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-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 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-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 HDAC1 2/4885HDAC3 5/4885HDAC8 10/4885

“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.