Sugi Predict

Sugi Predict / Compounds / SCHEMBL3679281

SCHEMBL3679281

SCHEMBL3679281

C=C1/C(=C\C=C2CCC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)C[C@H](O)C[C@H]1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 14/20 0.83
▸ ADORA3 P0DMS8 2/20 0.77
▸ SLC6A2 P23975 2/20 0.77
▸ AGTR1 P30556 2/20 0.77
▸ CYP24A1 Q07973 3/20 0.74
▸ MAPT P10636 2/20 0.74
▸ NR1I2 O75469 1/20 0.74
▸ ABCB11 O95342 1/20 0.74
▸ GC P02774 1/20 0.74
▸ PGR P06401 1/20 0.74
▸ RXRA P19793 1/20 0.74
▸ CHRM3 P20309 1/20 0.74
▸ CNR1 P21554 1/20 0.74
▸ HTR2C P28335 1/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ SLC6A4 P31645 1/20 0.74
▸ ADRA1A P35348 1/20 0.74
▸ PTGS2 P35354 1/20 0.74
▸ OPRD1 P41143 1/20 0.74
▸ OPRK1 P41145 1/20 0.74

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
SCHEMBL26982954 0.92 VDR (0.76) VDRADORA3SLC6A2AGTR1CYP24A1
SCHEMBL7080225 0.92 VDR (0.76) VDRADORA3SLC6A2AGTR1CYP24A1
SCHEMBL7080227 0.92 VDR (0.76) VDRADORA3SLC6A2AGTR1CYP24A1
SCHEMBL8152855 0.92 VDR (0.76) VDRADORA3SLC6A2AGTR1CYP24A1
SCHEMBL30013587 0.92 VDR (0.76) VDRADORA3SLC6A2AGTR1CYP24A1
SCHEMBL29452954 0.91 VDR (0.75) VDRADORA3SLC6A2AGTR1CYP24A1
SCHEMBL11442771 0.91 VDR (1.00) VDRADORA3SLC6A2AGTR1CYP24A1
SCHEMBL1249405 0.91 VDR (1.00) VDRADORA3SLC6A2AGTR1CYP24A1
SCHEMBL19988215 0.91 VDR (0.79) VDRADORA3SLC6A2AGTR1CYP24A1
SCHEMBL8046820 0.91 VDR (0.79) VDRADORA3SLC6A2AGTR1CYP24A1

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 VDR 1/4885ADORA3 46/4885SLC6A2 2211/4885

“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.