SCHEMBL3681975

SCHEMBL3681975

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C(=C/C=C3/C[C@H](O)C[C@@H](O)[C@@H]3C)CCC[C@]12C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.62
HDAC3 O15379 4/20 0.62
VDR P11473 9/20 0.61
HDAC2 Q92769 3/20 0.61
CDC25A P30304 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
SLC6A2 P23975 1/20 0.54
AGTR1 P30556 1/20 0.54

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
SCHEMBL8610933 1.00 HDAC6 (0.62) HDAC6HDAC3VDRHDAC2CDC25A
SCHEMBL8677057 0.88 HDAC6 (0.56) HDAC6HDAC3VDRHDAC2ADORA3
SCHEMBL8677059 0.88 HDAC6 (0.56) HDAC6HDAC3VDRHDAC2ADORA3
SCHEMBL7570689 0.86 VDR (0.63) HDAC6HDAC3VDRHDAC2CDC25A
SCHEMBL7570677 0.86 VDR (0.63) HDAC6HDAC3VDRHDAC2CDC25A
SCHEMBL30452668 0.84 VDR (0.79) VDRADORA3SLC6A2AGTR1
SCHEMBL3679281 0.83 VDR (0.83) VDRADORA3SLC6A2AGTR1
SCHEMBL13532024 0.83 HDAC6 (0.81) HDAC6HDAC3VDRHDAC2
SCHEMBL8971029 0.81 CDC25A (0.54) HDAC6HDAC3VDRHDAC2CDC25A
SCHEMBL24299437 0.79 NR1I2 (0.63) HDAC6HDAC3VDRHDAC2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696275-B1 VITAMIN D AMIDE DERIVATIVES RES INST MEDICINE CHEM (US) 1998-08-12 EP claimed
US-7851461-B2 acetylsalicylic acid, 1,25 dihydroxycholecalcipherol and calcium COLOTECH A/S (DK) 2010-12-14 US disclosed
EP-1389122-B1 PREVENTION OF EPITHELIAL CANCER COLOTECH AS (DK) 2009-09-30 EP disclosed
US-20040116393-A1 Prevention of epithelial cancer COLOTECH A/S (DK) 2004-06-17 US disclosed
US-6703380-B2 PREVENTION OF COLORECTAL CANCER BY ADMINISTERING A COMBINATION DOSAGE OF A CYCLOOXYGENASE COX INHIBITOR, VITAMIN D3, ANALOGUES OF VITAMIN D3, METABOLITES OF VITAMIN D3 OR A MIXTURE THEREOF AND CALCIUM. COLOTECH A/S (DK) 2004-03-09 US disclosed
US-20010049364-A1 Prevention of cancer RASKOV, HANS HENRIK (DK) 2001-12-06 US disclosed
EP-0696275-B1 VITAMIN D AMIDE DERIVATIVES RES INST MEDICINE CHEM (US) 1998-08-12 EP disclosed
US-5756733-A Vitamin D amide derivatives RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY (US) 1998-05-26 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-20010049364-A1 Prevention of cancer VDR, CYP24A1, CYP2R1 HDAC6 4746/4885HDAC3 2504/4885VDR 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.