SCHEMBL5682413

SCHEMBL5682413

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(Br)[C@H](O)C3)CCC[C@]12C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 12/20 0.81
▸ MAPT P10636 2/20 0.67
▸ SREBF1 P36956 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ NR1I2 O75469 1/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ GC P02774 1/20 0.66
▸ PGR P06401 1/20 0.66
▸ ADORA3 P0DMS8 1/20 0.66
▸ RXRA P19793 1/20 0.66
▸ CHRM3 P20309 1/20 0.66
▸ CNR1 P21554 1/20 0.66
▸ SLC6A2 P23975 1/20 0.66
▸ HTR2C P28335 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ AGTR1 P30556 1/20 0.66
▸ SLC6A4 P31645 1/20 0.66
▸ ADRA1A P35348 1/20 0.66
▸ PTGS2 P35354 1/20 0.66
▸ OPRD1 P41143 1/20 0.66

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
SCHEMBL15371109 0.92 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL19461421 0.92 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL10307536 0.92 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL15371115 0.92 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL10307541 0.92 VDR (0.82) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL23359143 0.91 VDR (0.81) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL12513502 0.91 VDR (0.81) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL23359142 0.91 VDR (0.81) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL12513499 0.91 VDR (0.81) VDRMAPTSREBF1SMN1; SMN2NR1I2
SCHEMBL13993786 0.90 VDR (0.80) VDRMAPTSREBF1SMN1; SMN2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115758-B2 Vitamin D derivatives with cyclic substructures in the side chains, process and intermediate products for their production, and the use for the production of pharmaceutical agents SCHERING AG (DE) 2006-10-03 — — US disclosed
EP-1210327-B1 NEW VITAMIN D DERIVATIVES WITH CYCLIC SUBSTRUCTURES IN THE SIDE CHAINS, METHOD AND INTERMEDIATES FOR THEIR PRODUCTION AND THEIR USE IN THE PREPARATION OF MEDICAMENTS SCHERING AG (DE) 2006-01-18 — — EP disclosed
EP-1362848-A1 Process for the preparation of vitamin D derivatives Schering Aktiengesellschaft (DE) 2003-11-19 — — EP disclosed
US-20030149006-A1 New vitamin D derivatives with cyclic substructures in the side chains, process and intermediate products for their production, and the use for the production of pharmaceutical agents STEINMEYER ANDREAS (US) 2003-08-07 — — US disclosed
US-6603031-B1 Active metabolites of vitamin D2 and vitamin D3 and their synthetic derivatives have a proliferation- inhibiting and differentiation-stimulating action on tumor cells and normal cells, SCHERING AKTIENGESELLSCHAFT (DE) 2003-08-05 — — US disclosed
EP-1210327-A2 NEW VITAMIN D DERIVATIVES WITH CYCLIC SUBSTRUCTURES IN THE SIDE CHAINS, METHOD AND INTERMEDIATES FOR THEIR PRODUCTION AND THEIR USE IN THE PREPARATION OF MEDICAMENTS Schering Aktiengesellschaft (DE) 2002-06-05 — — EP disclosed
WO-2001007405-A2 NEW VITAMIN D DERIVATIVES WITH CYCLIC SUBSTRUCTURES IN THE SIDE CHAINS, METHOD AND INTERMEDIATES FOR THEIR PRODUCTION AND THEIR USE IN THE PREPARATION OF MEDICAMENTS SCHERING AKTIENGSELLSCHAFT (DE) 2001-02-01 — — 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 (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-20030149006-A1 New vitamin D derivatives with cyclic substructures in the side chains, process and intermediate products for their production, and the use for the production of pharmaceutical agents CYP24A1, CYP2R1, VDR VDR 3/4885MAPT 4518/4885SREBF1 386/4885

“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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