SCHEMBL109832

SCHEMBL109832

C=CC(=O)NCCCCNCC

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.69
ZDHHC2 Q9UIJ5 1/20 0.69
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
PAOX Q6QHF9 1/20 0.42
KDM1A O60341 5/20 0.42
TGM2 P21980 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.38
EPHX1 P07099 2/20 0.38

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
SCHEMBL108755 0.98 ZDHHC20 (0.72) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL10382235 0.98 ZDHHC20 (0.72) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL109531 0.96 ZDHHC20 (0.63) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6762337 0.94 ZDHHC20 (0.61) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL8004880 0.89 ZDHHC20 (0.56) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL34665 0.88 ZDHHC20 (0.57) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Diethylamine SCHEMBL2505686 0.86 ZDHHC20 (0.72) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3279662 0.86 ZDHHC20 (0.72) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3286087 0.86 ZDHHC20 (0.79) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL3286695 0.86 ZDHHC20 (0.85) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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-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-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-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US 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 ZDHHC20 50/4885ZDHHC2 196/4885TSHR 2974/4885
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS DNMT1, POLR1C, ETF1 ZDHHC20 50/4885ZDHHC2 196/4885TSHR 2974/4885

“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.