SCHEMBL3060963

SCHEMBL3060963

C=C1/C(=C\C=C2CCC[C@@]3(C)C2CC[C@@H]3C(CCCC(C)(C)O)CCCC(C)(C)O)C[C@@H](O)CC1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 11/20 0.85
▸ MAPT P10636 3/20 0.85
▸ ADORA3 P0DMS8 2/20 0.85
▸ SLC6A2 P23975 2/20 0.85
▸ AGTR1 P30556 2/20 0.85
▸ SMN1; SMN2 Q16637 2/20 0.85
▸ NR1I2 O75469 1/20 0.85
▸ ABCB11 O95342 1/20 0.85
▸ GC P02774 1/20 0.85
▸ PGR P06401 1/20 0.85
▸ RXRA P19793 1/20 0.85
▸ CHRM3 P20309 1/20 0.85
▸ CNR1 P21554 1/20 0.85
▸ HTR2C P28335 1/20 0.85
▸ MAPK1 P28482 1/20 0.85
▸ SLC6A4 P31645 1/20 0.85
▸ ADRA1A P35348 1/20 0.85
▸ PTGS2 P35354 1/20 0.85
▸ OPRD1 P41143 1/20 0.85
▸ OPRK1 P41145 1/20 0.85

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
SCHEMBL14005554 1.00 VDR (0.85) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL16357615 1.00 VDR (0.85) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL3680461 1.00 VDR (0.85) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL13875356 1.00 VDR (0.85) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL14489389 1.00 VDR (0.85) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL14005545 1.00 VDR (0.85) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL3219460 1.00 VDR (0.85) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL14005553 1.00 VDR (0.85) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL14029982 1.00 VDR (0.85) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL13392195 0.94 VDR (0.77) VDRMAPTADORA3SLC6A2AGTR1

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
US-6008209-A INDUCING INHIBITION OF CELL PROLIFERATION IN A BREAST TUMOR BY ADMINISTERING AN ANTITUMOR AGENT HOFFMANN-LA ROCHE INC. (US) 1999-12-28 — — US claimed
US-20100222307-A1 VITAMIN D AND VITAMIN D ANALOGS OR DERIVATIVES AS NEW ANTI-HYPERTENSIVE AGENTS THE UNIVERSITY OF CHICAGO (US) 2010-09-02 — — US disclosed
US-20050113348-A1 Vitamin D and vitamin D analogs or derivatives as new anti-hypertensive agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-26 — — US disclosed
EP-0980354-B1 VITAMIN D3 ANALOGS WITH BIS C-20 SIDE CHAINS HOFFMANN LA ROCHE (CH) 2002-06-19 — — EP disclosed
US-6030962-A FOR TREATING OSTEOPOROSIS, HYPERPARATHYROIDISM AND AUTOIMMUNE DISEASES SYNTTEX (U.S.A.) INC. (US) 2000-02-29 — — US disclosed
EP-0980354-A2 VITAMIN D 3? ANALOGS WITH BIS C-20 SIDE CHAINS F. HOFFMANN-LA ROCHE AG (CH) 2000-02-23 — — EP disclosed
US-6008209-A INDUCING INHIBITION OF CELL PROLIFERATION IN A BREAST TUMOR BY ADMINISTERING AN ANTITUMOR AGENT HOFFMANN-LA ROCHE INC. (US) 1999-12-28 — — US disclosed
WO-1998049138-A2 VITAMIN D3 ANALOGS WITH BIS C-20 SIDE CHAINS F.HOFFMANN-LA ROCHE AG (CH) 1998-11-05 — — 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 (2 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-20100222307-A1 VITAMIN D AND VITAMIN D ANALOGS OR DERIVATIVES AS NEW ANTI-HYPERTENSIVE AGENTS VDR, GC, CYP24A1 VDR 1/4885MAPT 3542/4885ADORA3 309/4885
US-20050113348-A1 Vitamin D and vitamin D analogs or derivatives as new anti-hypertensive agents VDR, GC, CYP24A1 VDR 1/4885MAPT 3542/4885ADORA3 309/4885

“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.

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