SCHEMBL5953347

SCHEMBL5953347

CCCCCCCCOCOCOCCCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.54
CES2 O00748 2/20 0.50
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
USP2 O75604 1/20 0.46
CES1 P23141 1/20 0.45
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
NAAA Q02083 1/20 0.41

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
SCHEMBL22497321 1.00 THRB (0.54) THRBHTTMEN1KMT2AMAPT
SCHEMBL31106045 1.00 THRB (0.54) THRBHTTMEN1KMT2AMAPT
SCHEMBL25298734 1.00 THRB (0.54) THRBHTTMEN1KMT2AMAPT
SCHEMBL25242882 1.00 THRB (0.54) THRBHTTMEN1KMT2AMAPT
SCHEMBL23567292 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL11048788 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL723818 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL23567250 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL15842210 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT
SCHEMBL23567212 0.97 THRB (0.56) THRBHTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380673-B Dialkoxy alkenyl alkoxy methyl ether compound and method for preparing terminal conjugated alkadiene aldehyde compound from same 信越化学工业株式会社 2024-09-13 CN disclosed
US-12060323-B2 6-hydroxy-3-hexenyl alkoxymethyl ether compound and a process for preparing a 3,13-octadecadien-1-ol compound from the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-08-13 US disclosed
US-20230312454-A1 6-HYDROXY-3-HEXENYL ALKOXYMETHYL ETHER COMPOUND AND A PROCESS FOR PREPARING A 3,13-OCTADECADIEN-1-OL COMPOUND FROM THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-05 US disclosed
EP-3978465-B1 6-HYDROXY-3-HEXENYL ALKOXYMETHYL ETHER COMPOUND AND A PROCESS FOR PREPARING A 3,13-OCTADECADIEN-1-OL COMPOUND FROM THE SAME SHINETSU CHEMICAL CO (JP) 2023-06-14 EP disclosed
EP-3885334-B1 PROCESS FOR PREPARING A FORMYLALKENYL ALKOXYMETHYL ETHER COMPOUND AND PROCESSES FOR PREPARING CONJUGATED DIENE COMPOUNDS FROM THE SAME SHINETSU CHEMICAL CO (JP) 2023-01-11 EP disclosed
CN-114380669-A 6-hydroxy-3-hexenylalkoxymethyl ether compounds and process for preparing 3, 13-octadecadien-1-ol therefrom 信越化学工业株式会社 2022-04-22 CN disclosed
US-20220106252-A1 6-HYDROXY-3-HEXENYL ALKOXYMETHYL ETHER COMPOUND AND A PROCESS FOR PREPARING A 3,13-OCTADECADIEN-1-OL COMPOUND FROM THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-04-07 US disclosed
EP-3885334-A1 PROCESS FOR PREPARING A FORMYLALKENYL ALKOXYMETHYL ETHER COMPOUND AND PROCESSES FOR PREPARING CONJUGATED DIENE COMPOUNDS FROM THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 2021-09-29 EP disclosed
US-7132252-B2 Comprises fluorophores selected from 7-hydroxycoumarin derivtives, resorufin, and a fluorescein; drug screening INVITROGEN CORPORATION (US) 2006-11-07 US disclosed
US-6638713-B2 Measurement of cytochrome enzymatic activity; obtain sample containing cytochrome, incubate with labeled substrate, monitor adjustments in optical signal, compare to control, quantify AURORA BIOSCIENCES CORPORATION 2003-10-28 US disclosed
US-20030186349-A1 Optical molecular sensors for cytochrome P450 activity Life Technologies Corporation 2003-10-02 US disclosed
EP-1140888-B1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY VERTEX PHARMA SAN DIEGO LLC (US) 2003-05-14 EP disclosed
US-20030027238-A1 Optical molecular sensors for cytochrome P450 activity Life Technologies Corporation 2003-02-06 US disclosed
US-6514687-B1 Screening a candidate compound for activity as a Cytochrome P450 enzyme substrate by contacting the compound, enzyme, and a reagent chromogen comprising the ether of a phenolic dye such as a coumarin, resofurin or fluorescein dye VERTEX PHARMACEUTICALS (SAN DIEGO), LLC 2003-02-04 US disclosed
US-6420130-B1 CHEMICAL COMPOUND FOR USE IN THE DETECTION OF PREFERENTIAL ENZYMATIC POLYPEPTIDE AURORA BIOSCIENCES CORPORATION 2002-07-16 US disclosed
EP-1140888-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY Aurora Biosciences Corporation (US) 2001-10-10 EP disclosed
WO-2000035900-A1 OPTICAL MOLECULAR SENSORS FOR CYTOCHROME P450 ACTIVITY AURORA BIOSCIENCES CORPORATION (US) 2000-06-22 WO disclosed
US-4568700-A NONCARCINOGEN YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1986-02-04 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-12060323-B2 6-hydroxy-3-hexenyl alkoxymethyl ether compound and a process for preparing a 3,13-octadecadien-1-ol compound from the same CYP8B1, CYP2E1, OXER1 THRB 2934/4885HTT 2747/4885MEN1 2297/4885
US-20230312454-A1 6-HYDROXY-3-HEXENYL ALKOXYMETHYL ETHER COMPOUND AND A PROCESS FOR PREPARING A 3,13-OCTADECADIEN-1-OL COMPOUND FROM THE SAME CYP8B1, CYP2E1, OXER1 THRB 3019/4885HTT 2815/4885MEN1 2324/4885
US-20220106252-A1 6-HYDROXY-3-HEXENYL ALKOXYMETHYL ETHER COMPOUND AND A PROCESS FOR PREPARING A 3,13-OCTADECADIEN-1-OL COMPOUND FROM THE SAME CYP8B1, OXER1, CYP2E1 THRB 3093/4885HTT 2553/4885MEN1 2028/4885

“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.