SCHEMBL4169952

SCHEMBL4169952

CCC(O)(CC)CCCC(C)(C)c1cccc(OCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
ALOX5 P09917 3/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
BCL2 P10415 1/20 0.39
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
MAOB P27338 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL6156388 0.89 ALOX5 (0.39) ALOX5NR4A1NR4A2NR4A3BCL2
SCHEMBL6155637 0.86 MAOB (0.40) APPNR4A1NR4A2NR4A3BCL2
SCHEMBL6156481 0.85 MAOB (0.39) APPALOX5NR4A1NR4A2NR4A3
SCHEMBL6154726 0.84 APP (0.39) APPALOX5NR4A1NR4A2NR4A3
SCHEMBL4169944 0.82 VDR (0.50) APPALOX5NR4A1NR4A2NR4A3
SCHEMBL2785504 0.81 CYSLTR2 (0.40) ALOX5
SCHEMBL6158294 0.80 PDK1 (0.41) APPMAOBPKM
SCHEMBL6155616 0.80 ALOX5 (0.39) ALOX5
SCHEMBL6883442 0.79 BCHE (0.52)
SCHEMBL6155510 0.79 MAPK1 (0.39) ALOX5

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 APP 1068/4885ALOX5 3356/4885NR4A1 3260/4885
US-20070041910-A1 Pharmaceutical spray compositions comprising a bioactive agent, at least one volatile silicone and a non-volatile oily phase CYP24A1, CYP2R1, VDR APP 67/4885ALOX5 153/4885NR4A1 638/4885
US-20090004232-A1 BIOACTIVE PHARMACEUTICAL/COSMETIC COMPOSITIONS AND MIXED SOLUBILIZATION PROCESS FOR THE FORMULATION THEREOF CYP19A1, CYP17A1, CYP51A1 APP 2057/4885ALOX5 85/4885NR4A1 146/4885

“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.