SCHEMBL16178339

SCHEMBL16178339

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

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.76
HDAC3 O15379 4/20 0.76
VDR P11473 10/20 0.65
AR P10275 3/20 0.55
HDAC1 Q13547 1/20 0.52
CYP2C19 P33261 1/20 0.49

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
SCHEMBL16178304 0.90 HDAC6 (0.76) HDAC6HDAC3VDRARHDAC1
SCHEMBL20059993 0.86 VDR (0.68) HDAC6HDAC3VDRARHDAC1
SCHEMBL16184354 0.86 HDAC6 (1.00) HDAC6HDAC3VDRARHDAC1
SCHEMBL16183026 0.86 HDAC6 (0.71) HDAC6HDAC3VDRARHDAC1
SCHEMBL16177773 0.85 VDR (0.89) HDAC6HDAC3VDRAR
SCHEMBL15059230 0.84 VDR (0.64) HDAC6HDAC3VDRAR
SCHEMBL16178165 0.83 ESR1 (0.64) HDAC6HDAC3VDRARHDAC1
SCHEMBL15059560 0.81 HDAC6 (0.77) HDAC6HDAC3VDRARHDAC1
SCHEMBL4507201 0.81 VDR (0.60) HDAC6HDAC3VDR
SCHEMBL15059561 0.80 VDR (0.60) HDAC6HDAC3VDRARHDAC1

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
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
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

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 8/4885VDR 1/4885

“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.