SCHEMBL2041818

SCHEMBL2041818

CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)OCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.52
▸ SLC6A5 Q9Y345 2/20 0.50
▸ GNAI3 P08754 1/20 0.49
▸ GNAO1 P09471 1/20 0.49
▸ GNAI1 P63096 1/20 0.49
▸ CASP2 P42575 1/20 0.49
▸ EPHX2 P34913 3/20 0.48
▸ FAAH O00519 3/20 0.48
▸ DPP7 Q9UHL4 1/20 0.48
▸ NAAA Q02083 1/20 0.47
▸ DNM1 Q05193 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ RRM1 P23921 1/20 0.45

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
SCHEMBL7262358 0.89 NOD1 (0.51) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL13422874 0.88 NOD1 (0.58) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL7262356 0.87 NOD1 (0.54) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL13855548 0.87 NOD1 (0.55) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL17761085 0.87 NOD1 (0.56) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL26660574 0.85 GRIK1 (0.45) NOD1GNAI3GNAO1GNAI1FAAH
SCHEMBL24177100 0.81 NOD1 (0.56) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL15986104 0.81 NOD1 (0.74) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL358468 0.81 NOD1 (0.74) NOD1SLC6A5GNAI3GNAO1GNAI1
SCHEMBL1243678 0.81 NOD1 (0.74) NOD1SLC6A5GNAI3GNAO1GNAI1

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
EP-2516511-B1 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) 2014-01-22 — — EP 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 NOD1 4590/4885SLC6A5 2528/4885GNAI3 541/4885

“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.

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