SCHEMBL9894467

SCHEMBL9894467

O=C(/C=C/c1ccc(CNC2(C(=O)O)CCCC2)cc1)NO

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.57
HDAC1 Q13547 13/20 0.57
HDAC8 Q9BY41 13/20 0.57
HDAC2 Q92769 12/20 0.57
HDAC6 Q9UBN7 10/20 0.53
HDAC5 Q9UQL6 6/20 0.53
HDAC4 P56524 6/20 0.53
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
LTA4H P09960 1/20 0.46

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
SCHEMBL9894470 1.00 HDAC3 (0.57) HDAC3HDAC1HDAC8HDAC2HDAC6
Trifluoroacetic Acid SCHEMBL9895882 0.93 HDAC3 (0.50) HDAC3HDAC1HDAC8HDAC2HDAC6
Trifluoroacetic Acid SCHEMBL9895878 0.93 HDAC3 (0.50) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL2706460 0.89 HDAC3 (0.53) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL2706465 0.89 HDAC3 (0.53) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL2705578 0.84 HDAC1 (0.46) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL2705580 0.84 HDAC1 (0.46) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL9895121 0.84 HDAC3 (0.46) HDAC3HDAC1HDAC8HDAC2HDAC6
SCHEMBL7899095 0.84 HDAC3 (0.46) HDAC3HDAC1HDAC8HDAC2HDAC6
Hydrochloric Acid SCHEMBL2841910 0.84 CA12 (0.47) HDAC3HDAC1HDAC8HDAC2HDAC6

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 5 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-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 US claimed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20130303576-A1 ENZYME INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-14 US disclosed
US-20120149736-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2012-06-14 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 (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.