SCHEMBL2048762

SCHEMBL2048762

C=C(C(=O)O)C(C=CC(=O)O)CCCO.C=C(C)C(=O)OCCNCCCC.C=CC(=O)NCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 3/20 0.40
ZDHHC2 Q9UIJ5 2/20 0.40
TSHR P16473 2/20 0.35
TGM2 P21980 2/20 0.34
ACHE P22303 6/20 0.31

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
Acrylic Acid SCHEMBL21239504 0.84 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRTGM2ACHE
Acrylic Acid SCHEMBL2808323 0.83 ZDHHC20 (0.56) ZDHHC20ZDHHC2TSHRTGM2ACHE
SCHEMBL542427 0.79 ZDHHC20 (0.49) ZDHHC20ZDHHC2TSHRACHE
Acrylic Acid Methyl Ester SCHEMBL3207498 0.77 ZDHHC20 (0.53) ZDHHC20ZDHHC2TSHRTGM2ACHE
Acrylic Acid SCHEMBL2041101 0.73 TSHR (0.53) ZDHHC20ZDHHC2TSHRACHE
SCHEMBL6566699 0.73 TSHR (0.43) ZDHHC20ZDHHC2TSHRACHE
Acrylic Acid SCHEMBL9957505 0.72 TSHR (0.38) TSHRACHE
Methacrylic Acid SCHEMBL7795521 0.71 ZDHHC20 (0.53) ZDHHC20ZDHHC2TSHRTGM2
1,6-Hexanediol SCHEMBL10596781 0.71 TSHR (0.45) ZDHHC20ZDHHC2TSHRTGM2ACHE
SCHEMBL8052195 0.71 TSHR (0.69) TSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8597619-B2 Thickener or gellant for oil materials, gel composition comprising same, and method of producing cosmetic material or topical agent Dow Corning Toray., Ltd. (JP) 2013-12-03 US disclosed
US-20120328539-A1 Thickener Or Gellant For Oil Materials, Gel Composition Comprising Same, And Method Of Producing Cosmetic Material Or Topical Agent DOW TORAY CO., LTD. (JP) 2012-12-27 US disclosed
EP-2516511-A2 THICKENER OR GELLANT FOR OIL MATERIALS, GEL COMPOSITION COMPRISING SAME, AND METHOD OF PRODUCING COSMETIC MATERIAL OR TOPICAL AGENT Dow Corning Toray Co., Ltd. (JP) 2012-10-31 EP disclosed
WO-2011078395-A2 THICKENER OR GELLANT FOR OIL MATERIALS, GEL COMPOSITION COMPRISING SAME, AND METHOD OF PRODUCING COSMETIC MATERIAL OR TOPICAL AGENT DOW CORNING TORAY CO., LTD. (JP) 2011-06-30 WO 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 (1 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-20120328539-A1 Thickener Or Gellant For Oil Materials, Gel Composition Comprising Same, And Method Of Producing Cosmetic Material Or Topical Agent H1-10, F12, RPS12 ZDHHC20 2991/4885ZDHHC2 3745/4885TSHR 3010/4885

“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.