SCHEMBL101500

SCHEMBL101500

CCCCC(CC)COC(O)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 8/20 0.47
CA2 P00918 3/20 0.41
RECQL P46063 1/20 0.40
LMNA P02545 2/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1284067 0.89 CYP3A4 (0.47) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL28477060 0.85 CYP3A4 (0.47) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL978998 0.84 ALDH1A1 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL6382210 0.83 CYP3A4 (0.46) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL815687 0.83 CYP3A4 (0.46) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL10498392 0.83 CYP3A4 (0.46) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL8217861 0.82 ALDH1A1 (0.52) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL3919066 0.81 CYP3A4 (0.49) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL4575273 0.81 ALDH1A1 (0.53) CYP3A4TSHRTDP1ATML3MBTL1
Ethylene Glycol SCHEMBL10498005 0.81 ALDH1A1 (0.52) CYP3A4TSHRTDP1ATML3MBTL1

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
CN-118355072-A Halogen-based resin composition 花王株式会社 2024-07-16 CN disclosed
CN-118159592-A Method for producing halogen-based resin composition 花王株式会社 2024-06-07 CN disclosed
EP-3562465-B2 NOVEL ANTIOXIDANTS FOR COSMETICS AND PHARMACEUTICAL COMPOSITIONS CONTAINING GLYCEROL ALKYL ETHERS SACHEM INC (US) 2024-03-06 EP disclosed
US-9549883-B2 Textile friendly nonaerosol-antiperspirants with methansulfonic HENKEL AG & CO. KGAA (DE) 2017-01-24 US disclosed
US-9186304-B2 Peg-free antiperspirant oil-in-water emulsions having improved feel HENKEL AG & CO. KGAA (DE) 2015-11-17 US disclosed
US-9095520-B2 Textile friendly non-aerosol antiperspirants with a hydroxy acid HENKEL AG & CO. KGAA (DE) 2015-08-04 US disclosed
US-20140301963-A1 PEG-FREE ANTIPERSPIRANT OIL-IN-WATER EMULSIONS HAVING IMPROVED FEEL HENKEL AG & CO. KGAA (DE) 2014-10-09 US disclosed
US-8829229-B2 Polyol ethers and process for making them DOW GLOBAL TECHNOLOGIES LLC (US) 2014-09-09 US disclosed
US-20140178321-A1 TEXTILE FRIENDLY NON-AEROSOL ANTIPERSPIRANTS WITH A HYDROXY ACID HENKEL AG & CO. KGAA (DE) 2014-06-26 US disclosed
US-20140173833-A1 TEXTILE FRIENDLY NONAEROSOL-ANTIPERSPIRANTS WITH METHANSULFONIC HENKEL AG & CO. KGAA (DE) 2014-06-26 US disclosed
EP-2318346-B1 POLYOL ETHERS AND PROCESS FOR MAKING THEM DOW GLOBAL TECHNOLOGIES LLC (US) 2013-11-20 EP disclosed
EP-2426099-A1 Coalescent for aqueous compositions Rohm and Haas Company (US) 2012-03-07 EP disclosed
US-20120052210-A1 COALESCENT FOR AQUEOUS COMPOSITIONS VAN DYK ANTONY KEITH (US) 2012-03-01 US disclosed
EP-2318346-A1 POLYOL ETHERS AND PROCESS FOR MAKING THEM Dow Global Technologies LLC (US) 2011-05-11 EP disclosed
WO-2010027663-A1 POLYOL ETHERS AND PROCESS FOR MAKING THEM DOW GLOBAL TECHNOLOGIES INC. (US) 2010-03-11 WO disclosed
US-20100048940-A1 reductive etherification of a polyol with an aldehyde or ketone using a hydrogenation catalyt; resulting compounds have use as solvents, surfactants, degreasers, wetting agents, emulsifying agents, lubricants, and intermediates for surfactants; polyols can be from renewable raw materials DOW GLOBAL TECHNOLOGIES LLC 2010-02-25 US disclosed
US-7196052-B2 Fragrance composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-27 US disclosed
US-20030216283-A1 Fragrance composition TAKASAGO INTERNATIONAL CORPORATION 2003-11-20 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-20140301963-A1 PEG-FREE ANTIPERSPIRANT OIL-IN-WATER EMULSIONS HAVING IMPROVED FEEL GGCT, GLUL, PPARG CYP3A4 1038/4885TSHR 2460/4885TDP1 3646/4885
US-20140178321-A1 TEXTILE FRIENDLY NON-AEROSOL ANTIPERSPIRANTS WITH A HYDROXY ACID HRH1, NCEH1, HCAR1 CYP3A4 1224/4885TSHR 3838/4885TDP1 1733/4885
US-20140173833-A1 TEXTILE FRIENDLY NONAEROSOL-ANTIPERSPIRANTS WITH METHANSULFONIC TST, MPST, CUTA CYP3A4 702/4885TSHR 3827/4885TDP1 1154/4885
US-20100048940-A1 reductive etherification of a polyol with an aldehyde or ketone using a hydrogenation catalyt; resulting compounds have use as solvents, surfactants, degreasers, wetting agents, emulsifying agents, lubricants, and intermediates for surfactants; polyols can be from renewable raw materials RNF114, USP14, USP13 CYP3A4 133/4885TSHR 3945/4885TDP1 1846/4885
US-20030216283-A1 Fragrance composition FAAH2, FAAH, DGAT1 CYP3A4 1063/4885TSHR 4570/4885TDP1 947/4885
US-20120052210-A1 COALESCENT FOR AQUEOUS COMPOSITIONS DGAT2, DGAT1, DAGLB CYP3A4 2516/4885TSHR 4669/4885TDP1 2844/4885

“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.