SCHEMBL10066967

SCHEMBL10066967

CCC(C)(C)NCCC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13602686 0.82 EPHX1 (0.33) TSHRTDP1
SCHEMBL9695136 0.82 TSHR (0.38) TSHRTDP1
SCHEMBL23869463 0.81 ALDH1A1 (0.35)
SCHEMBL10050846 0.81
SCHEMBL13897919 0.79 GRM4 (0.30)
SCHEMBL19679395 0.77 EPHX1 (0.34) TSHRTDP1
SCHEMBL27577156 0.77 EPHX1 (0.39) TSHRTDP1
SCHEMBL7054443 0.77
SCHEMBL13912976 0.76 HTT (0.33)
SCHEMBL21579144 0.75 CYP2D6 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151047-A1 LINKER STRUCTURES WITH MINIMAL SCAR FOR ENZYMATIC SYNTHESIS MICROSOFT TECHNOLOGY LICENSING, LLC 2023-05-18 US disclosed
US-20230117831-A1 MULTI-FUNCTIONAL CHIMERIC MOLECULES THE BROAD INSTITUTE, INC. 2023-04-20 US disclosed
US-11550085-B2 Structure and optical sensor FUJIFILM CORPORATION (JP) 2023-01-10 US disclosed
US-20220204544-A1 LINKER STRUCTURES WITH MINIMAL SCAR FOR ENZYMATIC SYNTHESIS MICROSOFT TECHNOLOGY LICENSING, LLC. 2022-06-30 US disclosed
US-20220163884-A1 COMPOSITION, FILM, OPTICAL FILTER AND METHOD FOR MANUFACTURING THE SAME, SOLID-STATE IMAGING ELEMENT, INFRARED SENSOR, AND SENSOR MODULE FUJIFILM CORPORATION (JP) 2022-05-26 US disclosed
US-11168154-B2 Curable composition, film, near infrared cut filter, solid image pickup element, image display device, and infrared sensor FUJIFILM CORPORATION (JP) 2021-11-09 US disclosed
EP-3442961-B1 AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-03-24 EP disclosed
US-20170038507-A1 INFRARED SENSOR, NEAR-INFRARED RAY ABSORPTION COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION, COMPOUND, NEAR-INFRARED RAY ABSORPTION FILTER, AND IMAGE PICK-UP DEVICE FUJIFILM CORPORATION (JP) 2017-02-09 US disclosed
US-20160206740-A1 CONJUGATED LIPOMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-07-21 US disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-8206822-B2 Polymer mechanical damping composites and methods of production FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2012-06-26 US disclosed
US-7976832-B2 Neutralizing chemical warfare agents into less toxic products; barrier base cream of polytetrafluoethylene resins dispersed in perfluorinated polyether oils and an active amine or a polyalkenimine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-07-12 US disclosed
US-20090162640-A1 POLYMER MECHANICAL DAMPING COMPOSITES AND METHODS OF PRODUCTION FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-25 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 (7 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-20220204544-A1 LINKER STRUCTURES WITH MINIMAL SCAR FOR ENZYMATIC SYNTHESIS RNGTT, MMP1, UNG TSHR 3376/4885TDP1 385/4885
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 TSHR 2122/4885TDP1 706/4885
US-20230151047-A1 LINKER STRUCTURES WITH MINIMAL SCAR FOR ENZYMATIC SYNTHESIS RNGTT, MMP1, UNG TSHR 3376/4885TDP1 385/4885
US-20230117831-A1 MULTI-FUNCTIONAL CHIMERIC MOLECULES PHAX, PAICS, SARS1 TSHR 4231/4885TDP1 3178/4885
US-20170038507-A1 INFRARED SENSOR, NEAR-INFRARED RAY ABSORPTION COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION, COMPOUND, NEAR-INFRARED RAY ABSORPTION FILTER, AND IMAGE PICK-UP DEVICE TAS2R39, TAS1R1, TAS1R2 TSHR 1901/4885TDP1 2594/4885
US-20160206740-A1 CONJUGATED LIPOMERS AND USES THEREOF EZH2, LIPC, PUF60 TSHR 880/4885TDP1 4660/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 TSHR 2122/4885TDP1 706/4885

“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.