SCHEMBL9895162

SCHEMBL9895162

CC(C)COC(C)ONC(=O)C=Cc1ccc(CNC2(C(=O)OC3CCCC3)CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.39
HDAC1 Q13547 6/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC4 P56524 2/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MEF2D Q14814 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KDM1A O60341 2/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
HDAC2 Q92769 4/20 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
SCHEMBL7896386 1.00 HDAC3 (0.39) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL9895879 0.97 SMN1; SMN2 (0.38) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL7897506 0.97 SMN1; SMN2 (0.38) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL10072240 0.93 SMN1; SMN2 (0.36) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL7897348 0.91 SMN1; SMN2 (0.37) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL9946575 0.89 HDAC1 (0.39) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL10072099 0.88 MAOB (0.33) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL7899126 0.88 MAP3K7 (0.30)
SCHEMBL9895415 0.88 MAP3K7 (0.30)
SCHEMBL10072275 0.88 MAP3K7 (0.33) HDAC1SMN1; SMN2NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
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 (2 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-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 HDAC3 3/4885HDAC1 2/4885HDAC8 11/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 HDAC3 5/4885HDAC1 2/4885HDAC8 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.