SCHEMBL22568096

SCHEMBL22568096

CN/C=C(\C)C1CCCCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CTSK P43235 1/20 0.34
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL21479606 0.74 CTSK (0.37) CES2CES1HDAC8HDAC6CTSK
SCHEMBL1288230 0.74 CES2 (0.41) CES2CES1HDAC8HDAC6CTSK
SCHEMBL9876587 0.74 CES2 (0.41) CES2CES1HDAC8HDAC6CTSK
SCHEMBL2352505 0.74 CES2 (0.41) CES2CES1HDAC8HDAC6CTSK
SCHEMBL27342330 0.72 CES2 (0.39) CES2CES1HDAC8HDAC6CTSK
SCHEMBL11789278 0.71
SCHEMBL3019233 0.70 CES2 (0.38) CES2CES1HDAC8HDAC6CTSK
SCHEMBL3019236 0.70 CES2 (0.38) CES2CES1HDAC8HDAC6CTSK
SCHEMBL9656002 0.68 CES2 (0.36) CES2CES1HDAC8HDAC6CTSK
SCHEMBL4857238 0.67 CES2 (0.35) CES2CES1HDAC8HDAC6CTSK

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-20200331938-A1 METHODS AND DEVICES FOR ULTRASENSITIVE DIRECT DETECTION OF MICROORGANISMS HELIXBIND, INC. (US) 2020-10-22 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-20200331938-A1 METHODS AND DEVICES FOR ULTRASENSITIVE DIRECT DETECTION OF MICROORGANISMS DNTT, CGAS, DDX5 CES2 2519/4885CES1 3304/4885HDAC8 4780/4885

“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.