SCHEMBL9934623

SCHEMBL9934623

CCCCCC(CCC)COC(=O)C(CC)CCCC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.56
CA1 P00915 4/20 0.56
CYP3A4 P08684 4/20 0.50
TSHR P16473 3/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 2/20 0.47
RECQL P46063 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9933436 0.95 CA2 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL9933922 0.95 CA2 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL3807521 0.95 CA2 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL2904337 0.95 CA2 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL20767415 0.95 CA2 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL3326003 0.95 CA2 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL7223059 0.90 CYP3A4 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL28900906 0.90 CYP3A4 (0.58) CA2CA1CYP3A4TSHRATM
SCHEMBL3795613 0.90 TSHR (0.45) CA2CA1CYP3A4TSHRATM
SCHEMBL3800674 0.88 CA2 (0.49) CA2CA1CYP3A4TSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550954-B1 VASELINE-LIKE COMPOSITION, AND COSMETIC PREPARATION NISSHIN OILLIO GROUP LTD (JP) 2020-03-04 EP disclosed
EP-2494952-B1 COMPOSITION FOR COSMETICS, COSMETIC, METHOD FOR PRODUCING OIL-IN-WATER EMULSION COSMETIC, AND TWO SEPARATE LAYER-TYPE COSMETIC NISSHIN OILLIO GROUP LTD (JP) 2018-02-28 EP disclosed
US-9028848-B2 Composition for cosmetics, cosmetic, method for producing oil-in-water emulsion cosmetic, and two separate layer-type cosmetic THE NISSHIN OILLIO GROUP, LTD. (JP) 2015-05-12 US disclosed
US-9028850-B2 Composition for cosmetics, cosmetic, method for producing oil-in-water emulsion cosmetic, and two separate layer-type cosmetic THE NISSHIN OILLIO GROUP, LTD. (JP) 2015-05-12 US disclosed
US-20130303634-A1 COMPOSITION FOR COSMETICS, COSMETIC, METHOD FOR PRODUCING OIL-IN-WATER EMULSION COSMETIC, AND TWO SEPARATE LAYER-TYPE COSMETIC NISSHIN OILLIO GROUP LTD (JP) 2013-11-14 US disclosed
EP-2550954-A1 VASELINE-LIKE COMPOSITION, AND COSMETIC PREPARATION The Nisshin Oillio Group, Ltd. (JP) 2013-01-30 EP disclosed
US-20130005808-A1 VASELINE-LIKE COMPOSITION AND COSMETIC The Nisshin OilliO Group ,Ltd. (JP) 2013-01-03 US disclosed
EP-2494952-A1 COMPOSITION FOR COSMETICS, COSMETIC, METHOD FOR PRODUCING OIL-IN-WATER EMULSION COSMETIC, AND TWO SEPARATE LAYER-TYPE COSMETIC The Nisshin Oillio Group, Ltd. (JP) 2012-09-05 EP disclosed
US-20120156271-A1 COMPOSITION FOR COSMETICS, COSMETIC, METHOD FOR PRODUCING OIL-IN-WATER EMULSION COSMETIC, AND TWO SEPARATE LAYER-TYPE COSMETIC THE NISSHIN OILLIO GROUP, LTD. (JP) 2012-06-21 US disclosed
CN-101141944-B Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MAN GMBH 2012-05-23 CN disclosed
CN-101141944-A Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MAN GMBH (DE) 2008-03-12 CN 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-20120156271-A1 COMPOSITION FOR COSMETICS, COSMETIC, METHOD FOR PRODUCING OIL-IN-WATER EMULSION COSMETIC, AND TWO SEPARATE LAYER-TYPE COSMETIC GK, DGKG, MGLL CA2 3614/4885CA1 4716/4885CYP3A4 4481/4885
US-20130303634-A1 COMPOSITION FOR COSMETICS, COSMETIC, METHOD FOR PRODUCING OIL-IN-WATER EMULSION COSMETIC, AND TWO SEPARATE LAYER-TYPE COSMETIC GK, DGKA, DGKG CA2 2541/4885CA1 4610/4885CYP3A4 4320/4885

“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.