SCHEMBL3482971

SCHEMBL3482971

CC(O)C(=O)OCCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.46
NAAA Q02083 1/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL536456 1.00 ACHE (0.46) ACHENAAACYP4F2CYP4A11GAA
SCHEMBL1498093 1.00 ACHE (0.46) ACHENAAACYP4F2CYP4A11GAA
SCHEMBL1498116 1.00 ACHE (0.46) ACHENAAACYP4F2CYP4A11GAA
SCHEMBL3846617 1.00 ACHE (0.46) ACHENAAACYP4F2CYP4A11GAA
SCHEMBL6060295 0.98 ACHE (0.43) ACHENAAACYP4F2CYP4A11GAA
Myristyl Alcohol SCHEMBL23572569 0.92 ACHE (0.53) ACHENAAAALDH1A1TSHREPHX1
1,4-Butanediol SCHEMBL6281294 0.92 ACHE (0.53) ACHENAAAALDH1A1TSHREPHX1
Cetyl Alcohol SCHEMBL27525642 0.92 ACHE (0.53) ACHENAAAALDH1A1TSHREPHX1
SCHEMBL3460925 0.91 ACHE (0.36) ACHEALDH1A1
SCHEMBL3482815 0.89 GPR84 (0.55) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705879-B1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION HENKEL AG & CO KGAA (DE) 2017-06-07 EP disclosed
EP-2480192-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2016-01-13 EP disclosed
EP-2480193-B1 NON-AEROSOL WATER-FREE ANTIPERSPIRANT IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO KGAA (DE) 2015-08-19 EP disclosed
EP-2705879-A1 COMBINATION OF OILS FOR ANTIPERSPIRANT COMPOSITIONS WITH IMPROVED WHITE MARK PROTECTION Henkel AG&Co. KGAA (DE) 2014-03-12 EP disclosed
US-20130345260-A1 High Viscosity Liquid Controlled Delivery System and Medical or Surgical Device DURECT CORPORATION (US) 2013-12-26 US disclosed
US-7833543-B2 Sustained release of active materials; storage stability DURECT CORPORATION (US) 2010-11-16 US disclosed
US-20080152708-A1 High viscosity liquid controlled delivery system and medical or surgical device DURECT CORPORATION 2008-06-26 US disclosed
US-20080145419-A1 High viscosity liquid controlled delivery system and medical or surgical device DURECT CORPORATION 2008-06-19 US disclosed
US-20060210599-A1 Injectable or sprayable nonpolymeric ester or mixed ester solution easily formulated with therapeutic agents GIBSON JOHN W 2006-09-21 US disclosed
US-7053209-B1 High viscosity liquid controlled delivery system and medical or surgical device DURECT CORPORATION (US) 2006-05-30 US disclosed
US-6413536-B1 DELIVERING ACTIVE MATERIALS SOUTHERN BIOSYSTEMS, INC. 2002-07-02 US disclosed
US-4675177-A ALUMINUM-ZIRCONIUM SALTS, LACTATE ESTERS OF LOWER ALKANOLS AMERICAN CYANAMID COMPANY (US) 1987-06-23 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 (4 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-20060210599-A1 Injectable or sprayable nonpolymeric ester or mixed ester solution easily formulated with therapeutic agents MMP1, MMP11, MMP13 ACHE 877/4885NAAA 1364/4885CYP4F2 2796/4885
US-20080152708-A1 High viscosity liquid controlled delivery system and medical or surgical device MMP1, MMP13, MMP9 ACHE 1432/4885NAAA 3453/4885CYP4F2 3941/4885
US-20130345260-A1 High Viscosity Liquid Controlled Delivery System and Medical or Surgical Device MMP1, MMP13, MMP9 ACHE 1463/4885NAAA 3401/4885CYP4F2 3912/4885
US-20080145419-A1 High viscosity liquid controlled delivery system and medical or surgical device MMP1, MMP13, MMP9 ACHE 1432/4885NAAA 3453/4885CYP4F2 3941/4885

“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.