SCHEMBL14705471

SCHEMBL14705471

C=C(c1ccc(N(C)C)cc1)[C@H](C)/C=C(C)/C=C/C(=C\CC)NO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.52
▸ HDAC6 Q9UBN7 11/20 0.52
▸ HDAC3 O15379 10/20 0.52
▸ HDAC2 Q92769 10/20 0.52
▸ HDAC8 Q9BY41 10/20 0.52
▸ HDAC4 P56524 9/20 0.52
▸ HDAC7 Q8WUI4 9/20 0.52
▸ HDAC10 Q969S8 9/20 0.52
▸ HDAC9 Q9UKV0 9/20 0.52
▸ HDAC5 Q9UQL6 9/20 0.52
▸ HDAC11 Q96DB2 8/20 0.52
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL14141462 0.84 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8231474 0.84 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL17549781 0.81 HDAC1 (0.77) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL25561421 0.78 HDAC1 (0.51) HDAC1HDAC6HDAC3HDAC2HDAC8
Trichostatin SCHEMBL446806 0.69 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC8
Trichostatin SCHEMBL446807 0.69 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC8
Trichostatin SCHEMBL19886 0.69 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC8
Trichostatin SCHEMBL675951 0.69 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC8
Trichostatin SCHEMBL16380793 0.69 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL8089729 0.68 HDAC3 (0.40) HDAC1HDAC6HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040998-A1 FLUORINATED HDAC INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-02-14 — — 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 (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-20130040998-A1 FLUORINATED HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 HDAC1 1/4885HDAC6 3/4885HDAC3 8/4885

“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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