SCHEMBL19699893

SCHEMBL19699893

CCCCCCn1cc(-c2cccc(Oc3cccc(-c4cn(CCCCCC)nn4)c3)c2)nn1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 15/20 0.59
HDAC6 Q9UBN7 15/20 0.59
HDAC3 O15379 14/20 0.59
HDAC4 P56524 14/20 0.59
HDAC1 Q13547 14/20 0.59
HDAC7 Q8WUI4 14/20 0.59
HDAC2 Q92769 14/20 0.59
HDAC10 Q969S8 14/20 0.59
HDAC11 Q96DB2 14/20 0.59
HDAC9 Q9UKV0 14/20 0.59
HDAC5 Q9UQL6 14/20 0.59
TLR8 Q9NR97 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL19690670 0.95 HDAC8 (0.55) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL15076040 0.87 HDAC3 (0.65) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL19690667 0.83 HDAC8 (0.51) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL19690458 0.83 HDAC8 (0.54) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL4214837 0.83 TLR8 (0.57) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL23104953 0.83 HDAC8 (0.46) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL4224259 0.82 HDAC8 (0.61) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL16271201 0.82 HDAC8 (0.61) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL2189376 0.82 HDAC8 (0.61) HDAC8HDAC6HDAC3HDAC4HDAC1
SCHEMBL16169650 0.82 HDAC8 (0.50) HDAC8HDAC6HDAC3HDAC4HDAC1

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-20170358761-A1 Luminescent Compounds and Methods of Using Same QUEEN'S UNIVERSITY AT KINGSTON (CA) 2017-12-14 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 (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-20170358761-A1 Luminescent Compounds and Methods of Using Same CRY2, CYBA, TYR HDAC8 4124/4885HDAC6 3500/4885HDAC3 3343/4885

“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.