SCHEMBL13641589

SCHEMBL13641589

CC1[C@H](O)CC(=C/C=C2\CCC[C@@]3(C)C2CCC3[C@@H](C)CCC[C@@H](C)O)C[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 8/20 0.65
▸ HDAC6 Q9UBN7 3/20 0.61
▸ HDAC3 O15379 2/20 0.61
▸ CYP24A1 Q07973 1/20 0.60
▸ HDAC2 Q92769 1/20 0.60

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
SCHEMBL13641619 1.00 VDR (0.65) VDRHDAC6HDAC3CYP24A1HDAC2
SCHEMBL13641685 1.00 VDR (0.65) VDRHDAC6HDAC3CYP24A1HDAC2
SCHEMBL13641455 1.00 VDR (0.65) VDRHDAC6HDAC3CYP24A1HDAC2
SCHEMBL13641446 1.00 VDR (0.65) VDRHDAC6HDAC3CYP24A1HDAC2
SCHEMBL13641450 1.00 VDR (0.65) VDRHDAC6HDAC3CYP24A1HDAC2
SCHEMBL13641440 1.00 VDR (0.65) VDRHDAC6HDAC3CYP24A1HDAC2
SCHEMBL13641601 1.00 VDR (0.65) VDRHDAC6HDAC3CYP24A1HDAC2
SCHEMBL13824927 0.93 VDR (0.66) VDR
SCHEMBL13824922 0.93 VDR (0.66) VDR
SCHEMBL13824842 0.93 VDR (0.66) VDR

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
US-20120283228-A1 2alpha-Methyl and 2beta-Methyl Analogs of 19,26-Dinor-1alpha,25-Dihydroxyvitamin D3 and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-11-08 — — US disclosed
WO-2012151420-A1 2α-METHYL AND 2β-METHYL ANALOGS OF 19,26-DINOR-1α, 25-DIHYDROXYVITAMIN D3 AND THEIR USES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-11-08 — — WO disclosed
US-20120283228-A1 2alpha-Methyl and 2beta-Methyl Analogs of 19,26-Dinor-1alpha,25-Dihydroxyvitamin D3 and Their Uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-11-08 — — 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-20120283228-A1 2alpha-Methyl and 2beta-Methyl Analogs of 19,26-Dinor-1alpha,25-Dihydroxyvitamin D3 and Their Uses CYP24A1, VDR, CYP27B1 VDR 2/4885HDAC6 4745/4885HDAC3 4067/4885

“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.

Send feedback