SCHEMBL107923

SCHEMBL107923

C=C(C)C(=O)OCCCCNCC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
THRB P10828 1/20 0.50
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SAT1 P21673 1/20 0.38
ACHE P22303 6/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
PAOX Q6QHF9 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL108711 0.98 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530373 0.98 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL108888 0.95 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL28246373 0.93 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530413 0.88 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530355 0.88 TSHR (0.71) TSHRTHRBPOLBAPEX1HTT
SCHEMBL110870 0.87 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL20613896 0.87 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530416 0.86 TSHR (0.74) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530352 0.86 TSHR (0.74) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528791-A Hydrophobically modified cationic copolymers CONSTR RES & TECH GMBH (DE) 2009-09-09 CN claimed
WO-2021122709-A1 TEXTILE COATED WITH MALODOR REDUCING POLYMERS BASF SE (DE) 2021-06-24 WO disclosed
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
CN-100564443-C Contain based on the multipolymer of olefinically unsaturated carboxylic acid derivatives and alkene ether derivative and multipolymer and trimeric blend composition and the application thereof that contains sulfo group CONSTR RES & TECH GMBH (DE) 2009-12-02 CN disclosed
CN-101528791-A Hydrophobically modified cationic copolymers CONSTR RES & TECH GMBH (DE) 2009-09-09 CN disclosed
CN-101048459-A Mixture composition containing unsaturated carboxylic acid and alkene ether derivative based copolymers and copolymers and terpolymers containing sulfo groups and use thereof CONSTR RES & TECH GMBH (DE) 2007-10-03 CN 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 TSHR 2974/4885THRB 4325/4885POLB 191/4885
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS DNMT1, POLR1C, ETF1 TSHR 2974/4885THRB 4325/4885POLB 191/4885

“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.