SCHEMBL9946575

SCHEMBL9946575

CC(C)OCC(C)ONC(=O)/C=C/c1ccc(CNC2(C(=O)OC3CCCC3)CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.39
HDAC3 O15379 7/20 0.39
HDAC8 Q9BY41 6/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MEF2D Q14814 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HDAC2 Q92769 5/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TPSAB1 Q15661 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
SCHEMBL9946573 0.97 HDAC1 (0.38) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL9895162 0.89 HDAC3 (0.39) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL7896386 0.89 HDAC3 (0.39) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL7897506 0.85 SMN1; SMN2 (0.38) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL9895879 0.85 SMN1; SMN2 (0.38) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL7897997 0.84 HDAC3 (0.56) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL9895603 0.84 HDAC3 (0.56) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL7898196 0.82 HDAC3 (0.54) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL9895471 0.82 HDAC3 (0.54) HDAC1HDAC3HDAC8HDAC6HDAC4
SCHEMBL10072240 0.82 SMN1; SMN2 (0.36) 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.