SCHEMBL9895879

SCHEMBL9895879

CC(C)COC(C)ONC(=O)C=Cc1ccc(CNC2(C(=O)OC3CCCC3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC1 Q13547 7/20 0.38
HDAC3 O15379 6/20 0.38
HDAC8 Q9BY41 5/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC4 P56524 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEF2D Q14814 1/20 0.33
HDAC2 Q92769 5/20 0.33
KDM1A O60341 3/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPV1 Q8NER1 1/20 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
SCHEMBL7897506 1.00 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL9895162 0.97 HDAC3 (0.39) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL7896386 0.97 HDAC3 (0.39) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL10072240 0.94 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL7897348 0.93 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL9946573 0.89 HDAC1 (0.38) SMN1; SMN2NPC1RAB9AHDAC1HDAC3
SCHEMBL10072096 0.88 MAP3K7 (0.34) SMN1; SMN2NPC1RAB9AHDAC1HDAC4
SCHEMBL7899126 0.86 MAP3K7 (0.30)
SCHEMBL10072275 0.86 MAP3K7 (0.33) SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL9895415 0.86 MAP3K7 (0.30)

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-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 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 (3 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 SMN1; SMN2 2429/4885NPC1 1950/4885RAB9A 4776/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 SMN1; SMN2 2931/4885NPC1 3423/4885RAB9A 4584/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 SMN1; SMN2 2289/4885NPC1 1426/4885RAB9A 4822/4885

“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.