SCHEMBL16183647

SCHEMBL16183647

CCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1cc(C)c(CCC(O)C(C)(C)C)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 1.00
HDAC6 Q9UBN7 18/20 0.74
HDAC1 Q13547 1/20 0.66

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
SCHEMBL15060277 1.00 HDAC3 (1.00) HDAC3HDAC6HDAC1
SCHEMBL3390979 0.90 HDAC3 (0.81) HDAC3HDAC6HDAC1
SCHEMBL13366700 0.90 HDAC3 (0.81) HDAC3HDAC6HDAC1
SCHEMBL16177902 0.89 HDAC3 (0.80) HDAC3HDAC6HDAC1
SCHEMBL15060423 0.85 HDAC6 (1.00) HDAC3HDAC6HDAC1
SCHEMBL16183031 0.85 HDAC6 (1.00) HDAC3HDAC6HDAC1
SCHEMBL16183052 0.84 HDAC3 (0.73) HDAC3HDAC6HDAC1
SCHEMBL13366778 0.84 HDAC3 (0.72) HDAC3HDAC6HDAC1
SCHEMBL15076977 0.83 HDAC3 (0.71) HDAC3HDAC6HDAC1
SCHEMBL13366715 0.83 HDAC3 (0.71) HDAC3HDAC6HDAC1

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
EP-2794556-B1 BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER GLEASON JAMES L (CA) 2018-04-18 EP disclosed
US-9428447-B2 Bis-(aryl/heteroaryl)-methylene compounds, pharmaceutical compositions containing same and their use for treating cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-08-30 US disclosed
US-20140315965-A1 BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER KALDRE, Dainis (CA) 2014-10-23 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-20140315965-A1 BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER VDR, CYP2R1, CYP24A1 HDAC3 8/4885HDAC6 72/4885HDAC1 12/4885

“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.