SCHEMBL15059231

SCHEMBL15059231

CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc(O)c(C(=O)OC)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.66
HDAC3 O15379 3/20 0.66
HDAC1 Q13547 1/20 0.66
VDR P11473 10/20 0.62
AR P10275 5/20 0.62

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
SCHEMBL16183068 0.91 HDAC6 (0.68) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2969623 0.90 HDAC6 (0.69) HDAC6HDAC3HDAC1VDRAR
SCHEMBL15076945 0.88 HDAC6 (0.64) HDAC6HDAC3HDAC1VDRAR
SCHEMBL15076944 0.87 HDAC6 (0.67) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13203863 0.86 HDAC6 (0.64) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2968315 0.86 HDAC6 (0.64) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2963657 0.86 HDAC6 (0.69) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13203744 0.86 HDAC6 (0.69) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2949160 0.85 VDR (0.75) HDAC6HDAC3HDAC1VDRAR
SCHEMBL16178208 0.84 HDAC6 (0.59) HDAC6HDAC3HDAC1VDRAR

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 10 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
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-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-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
EP-2794556-A1 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) 2014-10-29 EP 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
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
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
WO-2013091082-A1 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) 2013-06-27 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-20140315965-A1 BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER VDR, CYP2R1, CYP24A1 HDAC6 72/4885HDAC3 8/4885HDAC1 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.