SCHEMBL14596703

SCHEMBL14596703

CC(C)(C)OC(=O)C(CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TLR2 O60603 6/20 0.34

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
SCHEMBL14254923 0.87 LTB4R (0.37) AAK1HDAC4HDAC1CYP3A4HTT
SCHEMBL21685663 0.81 AAK1 (0.38) AAK1MMP1MMP3MMP9CYP3A4
SCHEMBL21685664 0.81 AAK1 (0.38) AAK1MMP1MMP3MMP9CYP3A4
SCHEMBL28950596 0.81 CYP3A4 (0.36) AAK1HDAC4HDAC1HDAC3HDAC7
SCHEMBL28950487 0.81 TRPA1 (0.38) AAK1HDAC4HDAC1HDAC3HDAC7
SCHEMBL28950485 0.81 TRPA1 (0.38) AAK1HDAC4HDAC1HDAC3HDAC7
SCHEMBL28950737 0.81 MAPT (0.40) CYP3A4L3MBTL1ALDH1A1MAPT
SCHEMBL28950772 0.80 CYP3A4 (0.35) AAK1HDAC4HDAC1HDAC3HDAC7
SCHEMBL28950605 0.80 HDAC2 (0.40) HDAC2CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL20562065 0.79 ALDH1A1 (0.50) HDAC4HDAC1HDAC3HDAC7HDAC2

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-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 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-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 AAK1 4439/4885MMP1 481/4885MMP3 846/4885

“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.