SCHEMBL4617563

SCHEMBL4617563

CC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.79
LMNA P02545 9/20 0.79
MAPT P10636 6/20 0.79
TSHR P16473 5/20 0.79
NR3C1 P04150 4/20 0.79
PGR P06401 4/20 0.79
AR P10275 4/20 0.79
NR1I2 O75469 3/20 0.79
CYP2C9 P11712 3/20 0.79
CYP2C19 P33261 2/20 0.79
CYP17A1 P05093 1/20 0.79
OPRK1 P41145 1/20 0.79
CYP19A1 P11511 3/20 0.77
ALDH1A1 P00352 6/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
MAPK1 P28482 4/20 0.71
SHBG P04278 4/20 0.71
SERPINA6 P08185 4/20 0.71
GPBAR1 Q8TDU6 3/20 0.71
SIGMAR1 Q99720 3/20 0.71

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
SCHEMBL4617560 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL7996078 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL547898 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL2082800 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL18438757 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL15369348 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL2600420 1.00 CYP3A4 (0.79) CYP3A4LMNAMAPTTSHRNR3C1
Propionic Acid SCHEMBL26659955 0.94 CYP3A4 (0.80) CYP3A4LMNAMAPTTSHRNR3C1
SCHEMBL8814296 0.92 CYP3A4 (0.80) CYP3A4LMNAMAPTTSHRNR3C1
Butyric Acid SCHEMBL26659976 0.91 CYP3A4 (0.73) CYP3A4LMNAMAPTTSHRNR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486374-B2 Alcohol-free drug or cosmetics carrier mixture of water, hydrophobic solvent, surfactant and gelling agent; oil in water emulsions FOAMIX LTD. (IL) 2013-07-16 US disclosed
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2008-12-04 US disclosed
US-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT FOAMIX PHARMACEUTICALS LTD. (IL) 2008-11-27 US disclosed
US-20080206161-A1 QUIESCENT FOAMABLE COMPOSITIONS, STEROIDS, KITS AND USES THEREOF FOAMIX PHARMACEUTICALS LTD. (IL) 2008-08-28 US disclosed
US-20080063607-A1 Oleaginous pharmaceutical and cosmetic foam FOAMIX LTD 2008-03-13 US disclosed
EP-1890679-A2 STEROID KIT AND FOAMABLE COMPOSITION AND USES THEREOF Foamix Ltd. (IL) 2008-02-27 EP disclosed
US-20070292461-A1 Oleaginous pharmaceutical and cosmetic foam FOAMIX LTD. (IL) 2007-12-20 US disclosed
WO-2007012977-A2 STEROID KIT AND FOAMABLE COMPOSITION AND USES THEREOF FOAMIX LTD (US) 2007-02-01 WO disclosed
US-20060018937-A1 Steroid kit and foamable composition and uses thereof FOAMIX LTD. 2006-01-26 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 (6 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-20080206161-A1 QUIESCENT FOAMABLE COMPOSITIONS, STEROIDS, KITS AND USES THEREOF NR5A1, CYP17A1, LIPA CYP3A4 2975/4885LMNA 266/4885MAPT 4587/4885
US-20080292560-A1 SILICONE IN GLYCOL PHARMACEUTICAL AND COSMETIC COMPOSITIONS WITH ACCOMMODATING AGENT SSTR2, SSTR3, LPXN CYP3A4 3893/4885LMNA 1641/4885MAPT 1240/4885
US-20070292461-A1 Oleaginous pharmaceutical and cosmetic foam LIPA, LIPC, PLIN3 CYP3A4 3451/4885LMNA 2105/4885MAPT 2679/4885
US-20080063607-A1 Oleaginous pharmaceutical and cosmetic foam LIPA, LIPC, PLIN3 CYP3A4 3451/4885LMNA 2105/4885MAPT 2679/4885
US-20080299220-A1 HYDROPHILIC, NON-AQUEOUS PHARMACEUTICAL CARRIERS AND COMPOSITIONS AND USES LIPA, PHOSPHO1, MYO1G CYP3A4 1512/4885LMNA 524/4885MAPT 1026/4885
US-20060018937-A1 Steroid kit and foamable composition and uses thereof KIT, GK, HSD17B7 CYP3A4 2806/4885LMNA 1235/4885MAPT 3575/4885

“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.