SCHEMBL109252

SCHEMBL109252

C=C(C)C(=O)OCCCCNC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
THRB P10828 1/20 0.48
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.41
EPHX1 P07099 2/20 0.36
ACHE P22303 6/20 0.35
KISS1R Q969F8 1/20 0.33
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7169812 0.98 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL7164416 0.98 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
SCHEMBL23530372 0.98 TSHR (0.65) TSHRTHRBPOLBAPEX1HTT
Bromide SCHEMBL28191770 0.96 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
Iodide SCHEMBL30637260 0.96 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL30637259 0.96 TSHR (0.62) TSHRTHRBPOLBAPEX1HTT
SCHEMBL107954 0.94 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL6053163 0.92 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL108325 0.86 THRB (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL5144090 0.85 TSHR (0.79) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2518109-B1 Stabilised aqueous compositions comprising cationic polymers that deliver paint and primer properties in a coating ROHM & HAAS (US) 2015-06-17 EP disclosed
WO-2014143926-A1 ETHYLENICALLY UNSATURATED POLYMERIZABLE GROUPS COMPRISING POLYCARBOSILOXANE MONOMERS BAUSCH & LOMB INCORPORATED (US) 2014-09-18 WO disclosed
US-8791190-B2 Stabilized aqueous compositions comprising cationic polymers that deliver paint and primer properties in a coating ROHM AND HAAS COMPANY (US) 2014-07-29 US disclosed
WO-2014102206-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'OREAL (FR) 2014-07-03 WO disclosed
US-20120277333-A1 STABILIZED AQUEOUS COMPOSITIONS COMPRISING CATIONIC POLYMERS THAT DELIVER PAINT AND PRIMER PROPERTIES IN A COATING ROHM AND HAAS COMPANY 2012-11-01 US disclosed
EP-2518109-A1 Stabilised aqueous compositions comprising cationic polymers that deliver paint and primer properties in a coating Rohm and Haas Company (US) 2012-10-31 EP 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
EP-1369683-A1 HUMIDITY SENSOR ELEMENT AND METHOD FOR MANUFACTURE THEREOF TDK Corporation (JP) 2003-12-10 EP disclosed
US-6615659-B2 Humidity sensor and method for manufacturing the same TDK CORPORATION (JP) 2003-09-09 US disclosed
US-20030056571-A1 Humidity sensor and method for manufacturing the same TDK CORPORATION (JP) 2003-03-27 US disclosed
US-4748169-A FLUOROPOLYMERS, PRINTED CIRCUITS DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-05-31 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 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.