SCHEMBL1979354

SCHEMBL1979354

CCCCC(CC)CN(CC(CC)CCCC)C(=O)[C@@H]1CCC(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.39
▸ DAGLA Q9Y4D2 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ LMNA P02545 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TSHR P16473 6/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA2 P00918 3/20 0.34
▸ GAA P10253 1/20 0.32
▸ HTT P42858 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GLA P06280 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 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
SCHEMBL1978844 0.80 CYP3A4 (0.47) CNR1DAGLAALDH1A1CYP3A4LMNA
SCHEMBL2580764 0.80 CYP3A4 (0.47) CNR1DAGLAALDH1A1CYP3A4LMNA
SCHEMBL9000850 0.77 TSHR (0.43) CNR1DAGLAALDH1A1CYP3A4LMNA
SCHEMBL1978167 0.77 CNR1 (0.42) CNR1DAGLALMNACA2GAA
SCHEMBL1980083 0.76 LMNA (0.37) CNR1DAGLALMNATSHRCA2
SCHEMBL15015823 0.75 CYP3A4 (0.35) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL10352998 0.75 CNR1 (0.51) CNR1DAGLAALDH1A1CYP3A4LMNA
SCHEMBL10352996 0.75 CNR1 (0.51) CNR1DAGLAALDH1A1CYP3A4LMNA
SCHEMBL29771751 0.74 CYP3A4 (0.35) ALDH1A1CYP3A4LMNAHSD17B10TSHR
SCHEMBL15520343 0.74 CYP3A4 (0.38) ALDH1A1CYP3A4LMNAHSD17B10TSHR

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 950/4885ALDH1A1 2058/4885
US-20150094206-A1 Biocide Compositions Comprising Derivatives Of Pyroglutamic Acid GLUL, GLO1, PGD CNR1 4862/4885DAGLA 950/4885ALDH1A1 2058/4885

“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.

Send feedback