SCHEMBL110493

SCHEMBL110493

C=C(C)C(=O)NCCCCNCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.47
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.39
EPHX1 P07099 4/20 0.38
KDM1A O60341 3/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL107894 0.98 PAOX (0.46) PAOXCYP2C19CYP1A2KDM4EMAPK1
SCHEMBL112008 0.96 CYP2C19 (0.46) PAOXCYP2C19CYP1A2KDM4EMAPK1
Hydrochloric Acid SCHEMBL31441106 0.94 CYP2C19 (0.44) PAOXCYP2C19CYP1A2KDM4EMAPK1
SCHEMBL111160 0.88 TGFBR1 (0.34) PAOXCYP2C19CYP1A2KDM4EMAPK1
SCHEMBL907569 0.87 KDM4E (0.52) PAOXKDM4EMAPK1HIF1AMEN1
Diethylamine SCHEMBL2502248 0.86 ACHE (0.46) PAOXCYP2C19CYP1A2TSHREPHX1
SCHEMBL3279963 0.86 PAOX (0.55) PAOXTSHREPHX1ZDHHC20ZDHHC2
SCHEMBL3279918 0.86 PAOX (0.66) PAOXKDM4EMAPK1HIF1AMEN1
SCHEMBL3280464 0.86 PAOX (0.55) PAOXCYP2C19CYP1A2KDM4EMAPK1
SCHEMBL8775499 0.85 KDM4E (0.56) PAOXKDM4EMAPK1HIF1AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-10772822-B2 Molecularly imprinted polymers and their use as antidandruff agents L'OREAL (FR) 2020-09-15 US disclosed
EP-2938641-B1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS ORÉAL L (FR) 2016-08-24 EP disclosed
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'OREAL (FR) 2015-12-03 US disclosed
EP-2938641-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'Oréal (FR) 2015-11-04 EP disclosed
WO-2014102206-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'OREAL (FR) 2014-07-03 WO disclosed
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-7364834-B2 Functional polymer ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-04-29 US disclosed
US-20050250044-A1 Functional polymer SHIPLEY COMPANY, L.L.C. (US) 2005-11-10 US disclosed
US-20050250045-A1 Functional polymer SHIPLEY COMPANY, L.L.C. (US) 2005-11-10 US disclosed
US-20040224259-A1 Functionalized polymer SHIPLEY COMPANY, L.L.C. 2004-11-11 US disclosed
EP-1460478-A1 Dry film photoresist Eternal Technology Corporation (US) 2004-09-22 EP disclosed
EP-1429184-A1 Functionalized copolymer for photopolymerizable composition Shipley Company, L.L.C. (US) 2004-06-16 EP disclosed
US-20040063027-A1 Functional polymer SHIPLEY COMPANY, L.L.C. 2004-04-01 US disclosed
US-20040063026-A1 Dry film photoresist SHIPLEY COMPANY, L.L.C. 2004-04-01 US disclosed
US-20030162123-A1 Functionalized polymer SHIPLEY COMPANY, L.L.C. 2003-08-28 US disclosed
EP-1336630-A2 Functionalized polymer Shipley Co. L.L.C. (US) 2003-08-20 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-10772822-B2 Molecularly imprinted polymers and their use as antidandruff agents DNMT1, POLR1C, ETF1 PAOX 660/4885CYP2C19 177/4885CYP1A2 200/4885
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS DNMT1, POLR1C, ETF1 PAOX 660/4885CYP2C19 177/4885CYP1A2 200/4885

“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.