SCHEMBL2857335

SCHEMBL2857335

C=C(C)C(=O)OC.C=C(C)C(=O)OCCCO.C=C(C)C(=O)OCCNC(C)(C)C.C=CC(=O)NCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.48
ZDHHC2 Q9UIJ5 2/20 0.48
TSHR P16473 2/20 0.45
ACHE P22303 11/20 0.37
EPHX1 P07099 1/20 0.33
FAAH O00519 1/20 0.33
TGM2 P21980 1/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL1933457 0.90 ZDHHC20 (0.39) ZDHHC20ZDHHC2TSHRACHE
SCHEMBL15260550 0.90 ZDHHC20 (0.44) ZDHHC20ZDHHC2TSHREPHX1FAAH
SCHEMBL10945908 0.89 ZDHHC20 (0.39) ZDHHC20ZDHHC2TSHRACHE
Methacrylic Acid SCHEMBL7795521 0.89 ZDHHC20 (0.53) ZDHHC20ZDHHC2TSHREPHX1FAAH
SCHEMBL1563110 0.88 ZDHHC20 (0.46) ZDHHC20ZDHHC2TSHREPHX1FAAH
Methacrylic Acid SCHEMBL27993332 0.84 ZDHHC20 (0.41) ZDHHC20ZDHHC2TSHRTGM2
SCHEMBL7713603 0.82 ZDHHC20 (0.37) ZDHHC20ZDHHC2TSHR
SCHEMBL7745652 0.82 ZDHHC20 (0.56) ZDHHC20ZDHHC2TSHRACHEEPHX1
Acrylic Acid SCHEMBL21239504 0.82 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRACHETGM2
SCHEMBL31036566 0.81 ZDHHC20 (0.73) ZDHHC20ZDHHC2TSHREPHX1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 US disclosed
US-10584134-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2020-03-10 US disclosed
US-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2018-04-05 US disclosed
US-9718839-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2017-08-01 US disclosed
US-20150086491-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2015-03-26 US disclosed
US-8927605-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients SYMRISE AG (DE) 2015-01-06 US disclosed
US-8765688-B2 Anti-dandruff compositions containing peptides BASF SE (DE) 2014-07-01 US disclosed
US-20130085186-A1 COSMETIC PREPARATIONS BASED ON MOLECULARLY IMPRINTED POLYMERS BASF SE (DE) 2013-04-04 US disclosed
US-20120263659-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2012-10-18 US disclosed
US-20100310644-A1 ANTI-DANDRUFF COMPOSITIONS CONTAINING PEPTIDES BASF ,Trademarks and Licenses (DE) 2010-12-09 US disclosed
US-20100048737-A1 COSMETIC PREPARATIONS BASED ON MOLECULARLY IMPRINTED POLYMERS BASF SE (DE) 2010-02-25 US disclosed
WO-2010010145-A1 KERATIN-BINDING POLYPEPTIDES AND METHOD FOR THEIR IDENTIFICATION BASF SE (DE) 2010-01-28 WO disclosed
US-20100015070-A1 USE OF NATURAL, RECOMBINANT AND SYNTHETIC RESILINS IN COSMETICS BASF SE (DE) 2010-01-21 US disclosed
WO-2009080306-A1 ANTI-DANDRUFF COMPOSITIONS CONTAINING PEPTIDES BASF SE (DE) 2009-07-02 WO disclosed
US-20090156485-A1 METHOD FOR COUPLING KERATIN-BINDING POLYPEPTIDES WITH EFFECTOR MOLECULES WHICH SUPPORT CARBOXYLIC GROUPS OR SULFONIC ACID GROUPS BASE SE (DE) 2009-06-18 US disclosed
US-20090136433-A1 Use of Hydrophobin-Polypeptides and Conjugates From Hydrophobin-Polypeptides Having Active and Effect Agents and the Production Thereof and Use Thereof In the Cosmetic Industry BASF AKTIENGESELLSCHAFT (DE) 2009-05-28 US disclosed
US-20090099075-A1 Chimeric Keratin-Binding Effector Proteins BASF SE (DE) 2009-04-16 US disclosed
US-20090098076-A1 Method For the Production of a Keratin-Binding Effector Molecule BASF SE (DE) 2009-04-16 US disclosed
US-20080220031-A1 Dermocosmetic Preparations BASF AKTIENGESELLSCHAFT (DE) 2008-09-11 US disclosed
US-20080075684-A1 Keratin-Binding Polypeptides BASF AKTIENGESELLSCHAFT (DE) 2008-03-27 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 (12 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-20130085186-A1 COSMETIC PREPARATIONS BASED ON MOLECULARLY IMPRINTED POLYMERS PRDM7, FABP4, PLIN1 ZDHHC20 525/4885ZDHHC2 789/4885TSHR 4219/4885
US-20090156485-A1 METHOD FOR COUPLING KERATIN-BINDING POLYPEPTIDES WITH EFFECTOR MOLECULES WHICH SUPPORT CARBOXYLIC GROUPS OR SULFONIC ACID GROUPS KRT18, KRTCAP2, CUTA ZDHHC20 1217/4885ZDHHC2 1584/4885TSHR 2645/4885
US-20090136433-A1 Use of Hydrophobin-Polypeptides and Conjugates From Hydrophobin-Polypeptides Having Active and Effect Agents and the Production Thereof and Use Thereof In the Cosmetic Industry KRT18, F12, XPA ZDHHC20 742/4885ZDHHC2 2052/4885TSHR 2541/4885
US-20100048737-A1 COSMETIC PREPARATIONS BASED ON MOLECULARLY IMPRINTED POLYMERS PRDM7, FABP4, PLIN1 ZDHHC20 525/4885ZDHHC2 789/4885TSHR 4219/4885
US-20150086491-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 ZDHHC20 2278/4885ZDHHC2 3318/4885TSHR 2364/4885
US-20080220031-A1 Dermocosmetic Preparations C3AR1, C1S, C1R ZDHHC20 293/4885ZDHHC2 329/4885TSHR 3133/4885
US-10584134-B2 Use of physiological cooling active ingredients, and agents containing such active ingredients TRPM8, TRPM7, TRPM2 ZDHHC20 2278/4885ZDHHC2 3318/4885TSHR 2364/4885
US-20180093997-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 ZDHHC20 2278/4885ZDHHC2 3318/4885TSHR 2364/4885
US-20090099075-A1 Chimeric Keratin-Binding Effector Proteins KRT18, KRTCAP2, CKAP4 ZDHHC20 1142/4885ZDHHC2 1780/4885TSHR 3526/4885
US-20120263659-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM2 ZDHHC20 2278/4885ZDHHC2 3318/4885TSHR 2364/4885
US-20090098076-A1 Method For the Production of a Keratin-Binding Effector Molecule KRT18, KRTCAP2, CUTA ZDHHC20 576/4885ZDHHC2 1022/4885TSHR 4079/4885
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM5 ZDHHC20 2232/4885ZDHHC2 2410/4885TSHR 1357/4885

“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.