SCHEMBL19449449

SCHEMBL19449449

CC(C)n1cc(-c2ccccc2OC=O)nn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CYP19A1 P11511 1/20 0.34
LRRK2 Q5S007 8/20 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
SCHEMBL19449576 0.77 BRD4 (0.34) BRD4CYP19A1LRRK2
SCHEMBL19449440 0.74 CA1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19449439 0.73 HSD11B1 (0.43) CYP19A1LRRK2
SCHEMBL19449442 0.73 LMNA (0.41) CYP19A1LRRK2
SCHEMBL19454813 0.71 RAB9A (0.43) CYP19A1LRRK2
SCHEMBL19454748 0.70 CA1 (0.48)
SCHEMBL27684365 0.68 CYP1A2 (0.38)
SCHEMBL17194913 0.68 TLR8 (0.42) CYP19A1LRRK2
SCHEMBL28129241 0.66 ADRA1D (0.46) BRD4
SCHEMBL27813515 0.66 KMT2A (0.52)

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-10028938-B2 Antiviral agents and uses thereof GRIFFITH UNIVERSITY (AU) 2018-07-24 US disclosed
US-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2017-10-12 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 (2 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-20170290809-A1 ANTIVIRAL AGENTS AND USES THEREOF RNASE1, ENTPD5, ACE BRD4 1940/4885HDAC3 712/4885HDAC4 289/4885
US-10028938-B2 Antiviral agents and uses thereof RNASE1, ENTPD5, ACE BRD4 1940/4885HDAC3 712/4885HDAC4 289/4885

“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.