SCHEMBL113069

SCHEMBL113069

C=CC(=O)NCCCCNC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.68
ZDHHC2 Q9UIJ5 1/20 0.68
MAPK1 P28482 2/20 0.56
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TGM2 P21980 7/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.39
HIF1A Q16665 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
EPHX1 P07099 3/20 0.36
ATM Q13315 1/20 0.36
PAOX Q6QHF9 1/20 0.35

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
SCHEMBL109794 0.98 ZDHHC20 (0.71) ZDHHC20ZDHHC2MAPK1TSHRALDH1A1
SCHEMBL111647 0.96 ZDHHC20 (0.62) ZDHHC20ZDHHC2MAPK1TSHRALDH1A1
Hydrochloric Acid SCHEMBL22342052 0.94 ZDHHC20 (0.60) ZDHHC20ZDHHC2MAPK1TSHRALDH1A1
SCHEMBL632264 0.89 ZDHHC20 (0.75) ZDHHC20ZDHHC2MAPK1TSHRALDH1A1
Butane SCHEMBL22264050 0.88 ZDHHC20 (0.65) ZDHHC20ZDHHC2MAPK1TSHRALDH1A1
SCHEMBL110584 0.86
SCHEMBL1127677 0.86 ZDHHC20 (0.53) ZDHHC20ZDHHC2MAPK1TSHRALDH1A1
SCHEMBL270209 0.86 ZDHHC20 (0.79) ZDHHC20ZDHHC2MAPK1TSHRALDH1A1
SCHEMBL1591868 0.86 ZDHHC20 (0.79) ZDHHC20ZDHHC2MAPK1TSHRALDH1A1
SCHEMBL269468 0.86 ZDHHC20 (0.79) ZDHHC20ZDHHC2MAPK1TSHRALDH1A1

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
EP-3805214-B1 JAK3 SELECTIVE INHIBITOR UNIV PEKING SHENZHEN GRADUATE SCHOOL (CN) 2023-07-05 EP disclosed
US-10772822-B2 Molecularly imprinted polymers and their use as antidandruff agents L'OREAL (FR) 2020-09-15 US disclosed
WO-2019228442-A1 JAK3 SELECTIVE INHIBITOR 北京大学深圳研究生院 (CN) 2019-12-05 WO 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

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 196/4885MAPK1 3371/4885
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS DNMT1, POLR1C, ETF1 ZDHHC20 50/4885ZDHHC2 196/4885MAPK1 3371/4885

“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.