SCHEMBL764692

SCHEMBL764692

C[C@H](CC(C)(C)O)[C@H]1CC[C@@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 13/20 0.81
HDAC6 Q9UBN7 5/20 0.65
HDAC3 O15379 3/20 0.65
HDAC2 Q92769 2/20 0.64

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
SCHEMBL13996344 0.90 VDR (1.00) VDRHDAC6HDAC3
SCHEMBL19988205 0.90 VDR (1.00) VDRHDAC6HDAC3
SCHEMBL14489107 0.90 VDR (1.00) VDRHDAC6HDAC3
SCHEMBL12047912 0.90 VDR (1.00) VDRHDAC6HDAC3
SCHEMBL3056435 0.90 VDR (1.00) VDRHDAC6HDAC3
SCHEMBL12513364 0.90 VDR (0.67) VDR
SCHEMBL12513363 0.90 VDR (0.67) VDR
SCHEMBL805084 0.88 VDR (0.73) VDRHDAC6HDAC3HDAC2
SCHEMBL12513106 0.88 VDR (0.65) VDR
SCHEMBL4156343 0.88 VDR (0.79) VDRHDAC6HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407155-B1 Formulations of inecalcitol HYBRIGENICS SA (FR) 2012-12-26 EP disclosed
EP-2407154-B1 Formulations of 14-epi-analogues of vitamin D HYBRIGENICS SA (FR) 2012-11-07 EP disclosed
EP-2360145-B1 New process for isomerizing fused bicyclic structures and preparation of vitamin D analogs comprising the same HYBRIGENICS SA (FR) 2012-03-21 EP disclosed
US-20120015913-A1 Formulations of 14-EPI-Analogues of Vitamin D HYBRIGENICS SA (FR) 2012-01-19 US disclosed
WO-2012007512-A1 NEW FORMULATIONS OF 14 - EPI -ANALOGUES OF VITAMIN D HYBRIGENICS SA (FR) 2012-01-19 WO disclosed
US-20120015915-A1 FORMULATIONS OF 14-EPI-ANALOGUES OF VITAMIN D HYBRIGENICS SA (FR) 2012-01-19 US disclosed
US-20120015914-A1 FORMULATIONS OF 14-EPI-ANALOGUES OF VITAMIN D HYBRIGENICS SA (FR) 2012-01-19 US disclosed
WO-2012007517-A1 FORMULATIONS OF 14 - EPI -ANALOGUES OF VITAMIN D HYBRIGENICS SA (FR) 2012-01-19 WO disclosed
WO-2012007570-A2 NEW FORMULATIONS OF 14-EPI-ANALOGUES OF VITAMIN D HYBRIGENICS SA (FR) 2012-01-19 WO disclosed
EP-2407152-A1 Formulations of 14-epi-analogues of vitamin D Hybrigenics S.A. (FR) 2012-01-18 EP disclosed
EP-2407155-A1 Formulations of 14-epi-analogues of vitamin D Hybrigenics (FR) 2012-01-18 EP disclosed
EP-2360146-A1 New process for isomerizing fused bicyclic structures and preparation of vitamin D analogs comprising the same Hybrigenics S.A. (FR) 2011-08-24 EP disclosed
EP-2360145-A1 New process for isomerizing fused bicyclic structures and preparation of vitamin D analogs comprising the same Hybrigenics S.A. (FR) 2011-08-24 EP disclosed
US-20110184198-A1 New Process for Isomerizing Fused Bicyclic Structures and Preparation of Vitamin D Analogs Comprising the Same HYBRIGENICS SA (FR) 2011-07-28 US disclosed
EP-2263677-B1 New therapeutical uses of inecalcitol HYBRIGENICS SA (FR) 2011-04-13 EP disclosed
US-20110015276-A1 THERAPEUTICAL USES OF INECALCITOL HYBRIGENICS SA (FR) 2011-01-20 US disclosed
WO-2010145903-A1 NEW THERAPEUTICAL USES OF INECALCITOL HYBRIGENICS SA (FR) 2010-12-23 WO disclosed
EP-2263677-A1 New therapeutical uses of inecalcitol Hybrigenics (FR) 2010-12-22 EP 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 (5 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-20120015913-A1 Formulations of 14-EPI-Analogues of Vitamin D CYP24A1, VDR, CYP2R1 VDR 2/4885HDAC6 2541/4885HDAC3 1341/4885
US-20110184198-A1 New Process for Isomerizing Fused Bicyclic Structures and Preparation of Vitamin D Analogs Comprising the Same VDR, CYP24A1, CYP2R1 VDR 1/4885HDAC6 4117/4885HDAC3 1257/4885
US-20120015915-A1 FORMULATIONS OF 14-EPI-ANALOGUES OF VITAMIN D CYP24A1, VDR, CYP2R1 VDR 2/4885HDAC6 2541/4885HDAC3 1341/4885
US-20110015276-A1 THERAPEUTICAL USES OF INECALCITOL PTH1R, VDR, CYP24A1 VDR 2/4885HDAC6 1705/4885HDAC3 566/4885
US-20120015914-A1 FORMULATIONS OF 14-EPI-ANALOGUES OF VITAMIN D CYP24A1, VDR, CYP2R1 VDR 2/4885HDAC6 2541/4885HDAC3 1341/4885

“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.