SCHEMBL12425759

SCHEMBL12425759

O=C(/C=C/c1ccc(CO)cc1)NO

nearest known ligand 0.90

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 13/20 0.90
▸ HDAC2 Q92769 12/20 0.90
▸ HDAC3 O15379 12/20 0.65
▸ HDAC6 Q9UBN7 9/20 0.65
▸ HDAC1 Q13547 10/20 0.63
▸ HDAC4 P56524 5/20 0.60
▸ HDAC5 Q9UQL6 5/20 0.58
▸ HDAC10 Q969S8 4/20 0.58
▸ HDAC11 Q96DB2 4/20 0.58
▸ HDAC7 Q8WUI4 3/20 0.58
▸ HDAC9 Q9UKV0 3/20 0.58
▸ ADAM17 P78536 1/20 0.56

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
SCHEMBL14244596 1.00 HDAC8 (0.90) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL3292397 0.95 HDAC2 (1.00) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL3292393 0.95 HDAC2 (1.00) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL8256427 0.83 HDAC3 (0.68) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL8291622 0.83 HDAC8 (0.65) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL18495463 0.83 HDAC8 (0.65) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL6865934 0.83 HDAC8 (0.65) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL16806936 0.80 HDAC8 (0.67) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL13762663 0.80 HDAC8 (0.77) HDAC8HDAC2HDAC3HDAC6HDAC1
SCHEMBL2300813 0.80 HCAR2 (0.61) HDAC8HDAC2HDAC3HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 — — US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 — — US disclosed
US-9260382-B2 Methods of reducing virulence in bacteria UWM RESEARCH FOUNDATION (US) 2016-02-16 — — US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 — — US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 — — US disclosed
US-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA DUKE UNIVERSITY (US) 2012-12-20 — — US disclosed
WO-2011103189-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA UWM RESEARCH FOUNDATION, INC. (US) 2011-08-25 — — WO 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-20120322769-A1 METHODS OF REDUCING VIRULENCE IN BACTERIA PGLS, RRS1, MRPL21 HDAC8 3068/4885HDAC2 4243/4885HDAC3 2208/4885

“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.

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