SCHEMBL6046923

SCHEMBL6046923

C=C(CCCCC)c1ccccc1C(=C)CCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
NAAA Q02083 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL29175153 0.88 MAOA (0.50) TSHRCES2CES1TP53CYP3A4
SCHEMBL7923699 0.88 NAAA (0.49) TSHRCES2CES1TP53CYP3A4
SCHEMBL10791012 0.88 TSHR (0.40) TSHRCES2CES1TP53CYP3A4
SCHEMBL7918288 0.87 ALDH1A1 (0.50) TSHRCES2CES1TP53CYP3A4
SCHEMBL7920797 0.87 TSHR (0.39) TSHRCES2CES1TP53CYP3A4
SCHEMBL27268186 0.87 HPGD (0.49) TSHRCES2CES1TP53CYP3A4
SCHEMBL9311692 0.85 TSHR (0.44) TSHRCES2CES1TP53CYP3A4
SCHEMBL21615648 0.85 HPGD (0.47) TSHRCES2CES1TP53CYP3A4
SCHEMBL10899465 0.85 TSHR (0.44) TSHRCES2CES1TP53CYP3A4
SCHEMBL10644627 0.84 TP53 (0.39) TSHRCES2CES1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4529556-A Aryl substituted with hydroxy, epoxy or glycidyl groups THE DOW CHEMICAL COMPANY (US) 1985-07-16 US claimed
US-10858377-B2 Multivinylaminosilanes as branching agents for functionalized elastomeric polymers TRINSEO EUROPE GMBH (CH) 2020-12-08 US disclosed
US-20200055881-A1 MULTIVINYLAMINOSILANES AS BRANCHING AGENTS FOR FUNCTIONALIZED ELASTOMERIC POLYMERS TRINSEO EUROPE GMBH (CH) 2020-02-20 US disclosed
EP-3059240-B1 Multivinylaminosilanes as branching agents for functionalized elastomeric polymers TRINSEO EUROPE GMBH (CH) 2019-10-30 EP disclosed
US-20180030070-A1 Multivinylaminosilanes as Branching Agents for Functionalized Elastomeric Polymers TRINSEO EUROPE GMBH (CH) 2018-02-01 US disclosed
WO-2016131590-A1 MULTIVINYLAMINOSILANES AS BRANCHING AGENTS FOR FUNCTIONALIZED ELASTOMERIC POLYMERS TRINSEO EUROPE GMBH (CH) 2016-08-25 WO disclosed
EP-3059240-A1 Multivinylaminosilanes as branching agents for functionalized elastomeric polymers Trinseo Europe GmbH (CH) 2016-08-24 EP disclosed
US-20060166033-A1 Polymerizable, luminescent compounds and mixtures, luminescent polymer materials and their use MERCK PATENT GMBH (DE) 2006-07-27 US disclosed
EP-1517975-A2 POLYMERIZABLE, LUMINESCENT COMPOUNDS AND MIXTURES, LUMINESCENT POLYMER MATERIALS AND THEIR USE MERCK PATENT GmbH (DE) 2005-03-30 EP disclosed
WO-2004003102-A2 POLYMERIZABLE, LUMINESCENT COMPOUNDS AND MIXTURES, LUMINESCENT POLYMER MATERIALS AND THEIR USE MERCK PATENT GMBH (DE) 2004-01-08 WO disclosed
US-4529556-A Aryl substituted with hydroxy, epoxy or glycidyl groups THE DOW CHEMICAL COMPANY (US) 1985-07-16 US disclosed
US-4529556-A Aryl substituted with hydroxy, epoxy or glycidyl groups THE DOW CHEMICAL COMPANY (US) 1985-07-16 US disclosed
US-4529556-A Aryl substituted with hydroxy, epoxy or glycidyl groups THE DOW CHEMICAL COMPANY (US) 1985-07-16 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 (3 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-20200055881-A1 MULTIVINYLAMINOSILANES AS BRANCHING AGENTS FOR FUNCTIONALIZED ELASTOMERIC POLYMERS PRUNE1, GNE, TERB1 TSHR 2887/4885CES2 1575/4885CES1 3550/4885
US-20180030070-A1 Multivinylaminosilanes as Branching Agents for Functionalized Elastomeric Polymers GMNN, GNE, MSN TSHR 2520/4885CES2 1561/4885CES1 3768/4885
US-10858377-B2 Multivinylaminosilanes as branching agents for functionalized elastomeric polymers GMNN, GNE, MSN TSHR 2520/4885CES2 1561/4885CES1 3768/4885

“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.