SCHEMBL4169944

SCHEMBL4169944

CCC(O)(CC)CCCC(C)(C)c1cccc(OCc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.50
ALOX5 P09917 3/20 0.43
PKM P14618 1/20 0.38
MAOB P27338 2/20 0.37
APP P05067 1/20 0.36
BCL2 P10415 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL6156380 0.89 VDR (0.50) VDRALOX5PKMMAOBBCL2
SCHEMBL6154549 0.86 VDR (0.49) VDRALOX5PKMMAOBAPP
SCHEMBL6155566 0.85 VDR (0.48) VDRALOX5PKMMAOBNR4A2
SCHEMBL6154719 0.82 VDR (0.48) VDRALOX5PKMMAOBAPP
SCHEMBL4169952 0.82 APP (0.40) ALOX5PKMMAOBAPPBCL2
SCHEMBL2785501 0.80 VDR (0.49) VDRALOX5
SCHEMBL6158285 0.80 VDR (0.49) VDRPKMMAOBAPP
SCHEMBL6155122 0.79 VDR (0.48) VDR
SCHEMBL6155129 0.79 VDR (0.48) VDRALOX5APPBCL2
SCHEMBL6155609 0.78 VDR (0.48) VDRALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090004232-A1 BIOACTIVE PHARMACEUTICAL/COSMETIC COMPOSITIONS AND MIXED SOLUBILIZATION PROCESS FOR THE FORMULATION THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-01 US claimed
EP-1686972-B1 SPRAYABLE COMPOSITION FOR THE ADMINISTRATION OF VITAMIN D DERIVATIVES GALDERMA RES & DEV (FR) 2008-03-12 EP claimed
US-20070041910-A1 Pharmaceutical spray compositions comprising a bioactive agent, at least one volatile silicone and a non-volatile oily phase GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2007-02-22 US claimed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP claimed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US claimed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP claimed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO claimed
US-20090004232-A1 BIOACTIVE PHARMACEUTICAL/COSMETIC COMPOSITIONS AND MIXED SOLUBILIZATION PROCESS FOR THE FORMULATION THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-01 US disclosed
EP-1952808-A2 Composition in the form of a spray comprising calcitriol GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-08-06 EP disclosed
EP-1686972-B1 SPRAYABLE COMPOSITION FOR THE ADMINISTRATION OF VITAMIN D DERIVATIVES GALDERMA RES & DEV (FR) 2008-03-12 EP disclosed
US-20070135379-A1 Anhydrous pharmaceutical composition associating a siliconated agent and solubilised active principle GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-06-14 US disclosed
US-20070041910-A1 Pharmaceutical spray compositions comprising a bioactive agent, at least one volatile silicone and a non-volatile oily phase GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2007-02-22 US disclosed
EP-1686972-A1 SPRAYABLE COMPOSITION FOR THE ADMINISTRATION OF VITAMIN D DERIVATIVES Galderma Research & Development, S.N.C. (FR) 2006-08-09 EP disclosed
WO-2005053666-A1 SPRAYABLE COMPOSITION FOR THE ADMINISTRATION OF VITAMIN D DERIVATIVES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-06-16 WO disclosed
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 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 (3 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-20070135379-A1 Anhydrous pharmaceutical composition associating a siliconated agent and solubilised active principle IDUA, ARSA, STS VDR 3900/4885ALOX5 3356/4885PKM 881/4885
US-20070041910-A1 Pharmaceutical spray compositions comprising a bioactive agent, at least one volatile silicone and a non-volatile oily phase CYP24A1, CYP2R1, VDR VDR 3/4885ALOX5 153/4885PKM 3787/4885
US-20090004232-A1 BIOACTIVE PHARMACEUTICAL/COSMETIC COMPOSITIONS AND MIXED SOLUBILIZATION PROCESS FOR THE FORMULATION THEREOF CYP19A1, CYP17A1, CYP51A1 VDR 158/4885ALOX5 85/4885PKM 1443/4885

“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.