SCHEMBL2963657

SCHEMBL2963657

CCC(CC)(c1ccc(C(=O)OC)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.69
HDAC3 O15379 3/20 0.69
HDAC1 Q13547 1/20 0.69
VDR P11473 8/20 0.66
AR P10275 5/20 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
SCHEMBL13203744 1.00 HDAC6 (0.69) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2969623 0.91 HDAC6 (0.69) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2969939 0.89 HDAC6 (0.55) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13203813 0.89 HDAC6 (0.55) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2967694 0.88 VDR (0.69) HDAC6HDAC3HDAC1VDRAR
SCHEMBL13203745 0.88 VDR (0.69) HDAC6HDAC3HDAC1VDRAR
SCHEMBL20059976 0.88 HDAC6 (0.66) HDAC6HDAC3HDAC1VDRAR
SCHEMBL16183068 0.88 HDAC6 (0.68) HDAC6HDAC3HDAC1VDRAR
SCHEMBL15059231 0.86 HDAC6 (0.66) HDAC6HDAC3HDAC1VDRAR
SCHEMBL2968315 0.85 HDAC6 (0.64) 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 15 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
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
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
US-7772425-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-08-10 US disclosed
US-20090227604-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
US-7566803-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-07-28 US disclosed
US-20090018058-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (US) 2009-01-15 US disclosed
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators ELI LILLY AND COMPANY, AN INDIANA CORPORATION 2006-05-04 US disclosed
EP-1587906-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
WO-2004063345-A2 VESICANT TREATMENT WITH PHENYL-PHENYL TYPE VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (4 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-20090227604-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP24A1, CYP2R1 HDAC6 4639/4885HDAC3 2546/4885HDAC1 3029/4885
US-20090018058-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 HDAC6 4137/4885HDAC3 1685/4885HDAC1 2890/4885
US-20060094778-A1 Vesicant treatment with phenyl-phenyl type vitamin d receptor modulators VDR, CYP2R1, CYP24A1 HDAC6 4452/4885HDAC3 2892/4885HDAC1 3752/4885
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.