SCHEMBL16077490

SCHEMBL16077490

CC(C)(C)OC(=O)CCC(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
APP P05067 1/20 0.35
STING1 Q86WV6 1/20 0.34
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CTSK P43235 3/20 0.33
DGAT1 O75907 1/20 0.33
EPHX2 P34913 1/20 0.33
CA7 P43166 1/20 0.33
MLYCD O95822 1/20 0.33

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
SCHEMBL29864731 0.89 HDAC3 (0.37) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL16326514 0.87 HDAC6 (0.40) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL25228006 0.84 HDAC3 (0.42) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL6000874 0.84 CA1 (0.44) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL26211667 0.84 GSTK1 (0.47) MEN1KMT2A
SCHEMBL28632400 0.82 CYP2D6 (0.42) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL31301833 0.82 ANPEP (0.38) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL9112224 0.82 CYP2D6 (0.39) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL28634513 0.82 CYP2D6 (0.42) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL23363788 0.82 MEN1 (0.42) HDAC1HDAC2HDAC6HDAC3HDAC8

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
CN-115315263-A Cell surface receptor binding compounds and conjugates 利西亚治疗公司 2022-11-08 CN disclosed
US-20140271527-A1 SUBCUTANEOUS DELIVERY OF POLYMER CONJUGATES OF THERAPEUTIC AGENTS SERINA THERAPEUTICS, INC. (US) 2014-09-18 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-20140271527-A1 SUBCUTANEOUS DELIVERY OF POLYMER CONJUGATES OF THERAPEUTIC AGENTS CD44, CD47, LNPEP HDAC1 1332/4885HDAC2 2412/4885HDAC6 48/4885

“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.