SCHEMBL9895121

SCHEMBL9895121

O=C(C=Cc1ccc(CNC2(C(=O)O)CCCC2)cn1)NO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.46
HDAC1 Q13547 19/20 0.46
HDAC8 Q9BY41 18/20 0.46
HDAC6 Q9UBN7 18/20 0.46
HDAC4 P56524 16/20 0.46
HDAC2 Q92769 12/20 0.46
HDAC5 Q9UQL6 12/20 0.46
HDAC7 Q8WUI4 10/20 0.46
HDAC10 Q969S8 10/20 0.46
HDAC11 Q96DB2 10/20 0.46
HDAC9 Q9UKV0 10/20 0.46
LTA4H P09960 1/20 0.40

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
SCHEMBL7899095 1.00 HDAC3 (0.46) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL181516 0.98 HDAC3 (0.46) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL181515 0.98 HDAC3 (0.46) HDAC3HDAC1HDAC8HDAC6HDAC4
Trifluoroacetic Acid SCHEMBL9895346 0.94 HDAC3 (0.41) HDAC3HDAC1HDAC8HDAC6HDAC4
Trifluoroacetic Acid SCHEMBL9895341 0.94 HDAC3 (0.41) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL2707017 0.90 HDAC3 (0.43) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL2707021 0.90 HDAC3 (0.43) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL9894467 0.84 HDAC3 (0.57) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL9894470 0.84 HDAC3 (0.57) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL181812 0.83 HDAC4 (0.40) HDAC3HDAC1HDAC8HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US claimed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US claimed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130303576-A1 ENZYME INHIBITORS HDAC1, HDAC4, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC8 13/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 HDAC3 3/4885HDAC1 2/4885HDAC8 11/4885
US-20120149736-A1 ENZYME INHIBITORS HAT1, HDAC1, NAT1 HDAC3 5/4885HDAC1 2/4885HDAC8 10/4885

“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.