SCHEMBL16201653

SCHEMBL16201653

CC(C)C1=C(C(C)C)C(=O)CC1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
UCHL1 P09936 1/20 0.30
UCHL3 P15374 1/20 0.30
ECE1 P42892 1/20 0.30
MUS81 Q96NY9 1/20 0.30

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
SCHEMBL16201624 0.80 CDC25A (0.32) CDC25ACDC25B
SCHEMBL16201630 0.73
SCHEMBL3413343 0.70 CDC25A (0.37) CDC25ACDC25B
SCHEMBL20368670 0.66
SCHEMBL11910532 0.65
SCHEMBL7158411 0.65
SCHEMBL7237677 0.64 CDC25A (0.31) CDC25ACDC25B
SCHEMBL1690050 0.64 UCHL1 (0.35) UCHL1UCHL3ECE1MUS81
SCHEMBL525595 0.62
SCHEMBL5590100 0.60 CDC25A (0.32) CDC25ACDC25B

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-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 CDC25A 719/4885CDC25B 773/4885UCHL1 586/4885

“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.