SCHEMBL830054

SCHEMBL830054

CC12CCCc3cc(Nc4ncc(C(=O)O)cn4)cc(c31)CCC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.39
HDAC3 O15379 10/20 0.39
HDAC1 Q13547 10/20 0.39
HDAC2 Q92769 10/20 0.39
VNN1 O95497 1/20 0.36
CSNK2A1 P68400 1/20 0.35
SYK P43405 2/20 0.34
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
HCAR3 P49019 2/20 0.33
IDH1 O75874 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
SCHEMBL829782 0.84 RAB9A (0.41) HDAC6HDAC3HDAC1HDAC2
SCHEMBL829589 0.81 RXRA (0.43) RXRARXRBRXRG
SCHEMBL2396649 0.79 SMN1; SMN2 (0.47) RXRA
SCHEMBL829839 0.78 ALDH1A1 (0.46) RXRARXRBRXRG
SCHEMBL829696 0.77 AURKA (0.38) HDAC6HDAC3HDAC1HDAC2HCAR3
SCHEMBL830043 0.77 ALDH1A1 (0.43) HDAC6HDAC3HDAC1HDAC2RXRA
SCHEMBL830231 0.76 AURKA (0.40) HDAC6HDAC3HDAC1HDAC2HCAR3
SCHEMBL11956667 0.75 P4HTM (0.53)
SCHEMBL2395760 0.75 HCAR3 (0.53) HCAR3
SCHEMBL11955422 0.74 MEN1 (0.55) RXRARXRBRXRG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 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-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 HDAC6 636/4885HDAC3 66/4885HDAC1 90/4885

“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.