SCHEMBL1978167

SCHEMBL1978167

CCCCCCCCN(CCCCCCCC)C(=O)[C@@H]1CCC(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.42
▸ DAGLA Q9Y4D2 1/20 0.42
▸ CNR2 P34972 1/20 0.38
▸ BCHE P06276 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ADH1C P00326 1/20 0.34
▸ ADH1A P07327 1/20 0.34
▸ ADH4 P08319 1/20 0.34
▸ PRCP P42785 1/20 0.34
▸ HSD17B3 P37058 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ZDHHC20 Q5W0Z9 1/20 0.33
▸ ZDHHC2 Q9UIJ5 1/20 0.33

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
SCHEMBL1977710 0.94 CNR1 (0.38) CNR1DAGLABCHELMNACA12
SCHEMBL1980083 0.88 LMNA (0.37) CNR1DAGLABCHELMNACA12
SCHEMBL18291179 0.87 CNR1 (0.43) CNR1DAGLABCHELMNAADH1C
SCHEMBL1978357 0.81 LMNA (0.39) CNR1DAGLALMNAGAA
Pidolic Acid SCHEMBL27784562 0.80 CNR1 (0.46) CNR1DAGLALMNAPRCPGAA
Pidolic Acid SCHEMBL27784564 0.80 CNR1 (0.46) CNR1DAGLALMNAPRCPGAA
SCHEMBL23870660 0.77 CNR1 (0.44) CNR1DAGLALMNA
SCHEMBL19334194 0.77 CNR1 (0.44) CNR1DAGLALMNA
SCHEMBL19387572 0.77 CNR1 (0.44) CNR1DAGLALMNA
Cetyl Alcohol SCHEMBL28527381 0.75 CNR1 (0.42) CNR1DAGLALMNAPRCPGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927460-B2 Biocide compositions comprising derivatives of pyroglutamic acid COGNIS IP MANAGEMENT GMBH (DE) 2015-01-06 — — US claimed
US-20130102467-A1 Biocide Compositions Comprising Derivatives of Pyroglutamic Acid COGNIS IP MANAGEMENT GMBH (DE) 2013-04-25 — — US claimed
WO-2011072811-A2 BIOCIDE COMPOSITIONS COMPRISING DERIVATIVES OF PYROGLUTAMIC ACID COGNIS IP MANAGEMENT GMBH (DE) 2011-06-23 — — WO claimed
EP-2335480-A1 Biocide compositions comprising derivatives of pyroglutamic acid Cognis IP Management GmbH (DE) 2011-06-22 — — EP claimed
US-20150094206-A1 Biocide Compositions Comprising Derivatives Of Pyroglutamic Acid COGNIS IP MAN GMBH (DE) 2015-04-02 — — US disclosed
US-8927460-B2 Biocide compositions comprising derivatives of pyroglutamic acid COGNIS IP MANAGEMENT GMBH (DE) 2015-01-06 — — US disclosed
US-20130102467-A1 Biocide Compositions Comprising Derivatives of Pyroglutamic Acid COGNIS IP MANAGEMENT GMBH (DE) 2013-04-25 — — US disclosed
WO-2011072811-A2 BIOCIDE COMPOSITIONS COMPRISING DERIVATIVES OF PYROGLUTAMIC ACID COGNIS IP MANAGEMENT GMBH (DE) 2011-06-23 — — WO disclosed
EP-2335480-A1 Biocide compositions comprising derivatives of pyroglutamic acid Cognis IP Management GmbH (DE) 2011-06-22 — — 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 (2 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-20130102467-A1 Biocide Compositions Comprising Derivatives of Pyroglutamic Acid GLUL, GLO1, PGD CNR1 4862/4885DAGLA 950/4885CNR2 4845/4885
US-20150094206-A1 Biocide Compositions Comprising Derivatives Of Pyroglutamic Acid GLUL, GLO1, PGD CNR1 4862/4885DAGLA 950/4885CNR2 4845/4885

“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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