SCHEMBL3745075

SCHEMBL3745075

CCCCCCCC(=O)OCC(CCCC)CCCCCC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.77
TSHR P16473 1/20 0.77
ATM Q13315 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
MAPT P10636 1/20 0.64
LMNA P02545 2/20 0.62
ALDH1A1 P00352 1/20 0.62
KDM4E B2RXH2 1/20 0.60
DUSP3 P51452 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
DGKA P23743 1/20 0.58
PRKCA P17252 3/20 0.57
PRKCE Q02156 1/20 0.57
PRKCQ Q04759 1/20 0.57
PRKCD Q05655 1/20 0.57
PAM P19021 2/20 0.53
LPAR6 P43657 1/20 0.53
LPAR1 Q92633 1/20 0.53
LPAR4 Q99677 1/20 0.53

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
SCHEMBL19025383 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MAPT
SCHEMBL9933680 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MAPT
SCHEMBL3744997 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MAPT
SCHEMBL3221336 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MAPT
SCHEMBL3211647 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MAPT
SCHEMBL21784122 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MAPT
SCHEMBL8536216 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MAPT
SCHEMBL9762102 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MAPT
SCHEMBL3757077 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MAPT
SCHEMBL3216498 1.00 CYP3A4 (0.77) CYP3A4TSHRATMTDP1MAPT

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3632994-B1 OIL-BASED INKJET INK RISO KAGAKU CORP (JP) 2024-01-24 EP claimed
US-20170183595-A1 LOW VISCOSITY LOW VOLATILITY LUBRICATING OIL BASE STOCKS AND METHODS OF USE THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-06-29 US claimed
EP-2051781-B1 COSMETIC COMPOSITIONS CONTAINING ESTER OBTAINED FROM 2-BUTYL-1-OCTANOL COGNIS IP MAN GMBH (DE) 2015-12-02 EP claimed
US-20100298432-A1 Cosmetic Compositions Containing Esters of 2-Butyloctanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-25 US claimed
EP-3632994-B1 OIL-BASED INKJET INK RISO KAGAKU CORP (JP) 2024-01-24 EP disclosed
CN-116134020-A Lipid compounds comprising at least one terminal group of formula-NH-CX-A or-NH-CX-NH-A, compositions containing them and uses thereof 赛诺菲巴斯德有限公司 2023-05-16 CN disclosed
CN-110461960-B Oil-based ink-jet ink 理想科学工业株式会社 2023-01-20 CN disclosed
EP-3381989-B1 OIL-BASED INKJET INK RISO KAGAKU CORP (JP) 2022-12-14 EP disclosed
CN-110776784-B Oil-based ink jet ink 理想科学工业株式会社 2022-09-09 CN disclosed
US-11414560-B2 Oil-based inkjet ink RISO KAGAKU CORPORATION (JP) 2022-08-16 US disclosed
CN-110776773-B Ink container and ink cartridge 理想科学工业株式会社 2022-05-10 CN disclosed
CN-110776783-B Oil-based inkjet ink set and printing method 理想科学工业株式会社 2022-03-22 CN 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
US-20100298432-A1 Cosmetic Compositions Containing Esters of 2-Butyloctanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-25 US disclosed
EP-1889640-A1 Cosmetic compositions containing ester obtained from 2-butyl-1-octanol Cognis IP Management GmbH (DE) 2008-02-20 EP 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-20120156271-A1 COMPOSITION FOR COSMETICS, COSMETIC, METHOD FOR PRODUCING OIL-IN-WATER EMULSION COSMETIC, AND TWO SEPARATE LAYER-TYPE COSMETIC GK, DGKG, MGLL CYP3A4 4481/4885TSHR 2121/4885ATM 1478/4885
US-20170183595-A1 LOW VISCOSITY LOW VOLATILITY LUBRICATING OIL BASE STOCKS AND METHODS OF USE THEREOF F12, POLH, STK33 CYP3A4 4243/4885TSHR 2839/4885ATM 25/4885
US-20130303634-A1 COMPOSITION FOR COSMETICS, COSMETIC, METHOD FOR PRODUCING OIL-IN-WATER EMULSION COSMETIC, AND TWO SEPARATE LAYER-TYPE COSMETIC GK, DGKA, DGKG CYP3A4 4320/4885TSHR 2175/4885ATM 1388/4885

“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.