SCHEMBL2409442

SCHEMBL2409442

CC(C)C(CN)(CO)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 0.35

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
SCHEMBL9510919 0.81 ALDH1A1 (0.35)
SCHEMBL3621633 0.81 TSHR (0.47) TSHRTDP1
SCHEMBL200996 0.73 CYP2D6 (0.37) TSHRTDP1
SCHEMBL1614539 0.69 TSHR (0.35) TSHRTDP1
SCHEMBL17464881 0.67 TSHR (0.43) TSHRTDP1
Isobutanol SCHEMBL2058213 0.63
SCHEMBL1681306 0.63 TSHR (0.41) TSHRTDP1
SCHEMBL746608 0.63 ALDH1A1 (0.39)
SCHEMBL746607 0.63 MEN1 (0.39) TSHRTDP1
SCHEMBL12822305 0.63 TSHR (0.33) TSHRTDP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539378-B1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME GRACE W R & CO (US) 2018-06-06 EP disclosed
EP-2539379-B1 AMIDE ESTER INTERNAL ELECTRON DONOR AND PROCESS W R GRACE & CO -CONN (US) 2017-09-06 EP disclosed
US-9441058-B2 Procatalyst composition with substituted amide ester internal electron donor W. R. Grace & Co.—Conn. (US) 2016-09-13 US disclosed
EP-2545087-B1 PROCATALYST COMPOSITION WITH SUBSTITUTED AMIDE ESTER INTERNAL ELECTRON DONOR GRACE W R & CO (US) 2016-06-22 EP disclosed
US-20140163184-A1 Procatalyst Composition with Substituted Amide Ester Internal Electron Donor W. R. GRACE & CO.-CONN. 2014-06-12 US disclosed
US-8604144-B2 Procatalyst composition with substituted amide ester internal electron donor DOW GLOBAL TECHNOLOGIES LLC (US) 2013-12-10 US disclosed
US-8551903-B2 Amide ester internal electron donor and process DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-08 US disclosed
US-8466081-B2 Halogenated amide ester and internal electron donor with same DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-18 US disclosed
EP-2545087-A1 PROCATALYST COMPOSITION WITH SUBSTITUTED AMIDE ESTER INTERNAL ELECTRON DONOR Dow Global Technologies LLC (US) 2013-01-16 EP disclosed
EP-2539379-A1 AMIDE ESTER INTERNAL ELECTRON AND PROCESS Dow Global Technologies LLC (US) 2013-01-02 EP disclosed
US-20120322964-A1 Halogenated Amide Ester and Internal Electron Donor with Same DOW GLOBAL TECHNOLOGIES LLC (US) 2012-12-20 US disclosed
US-20120316299-A1 Amide Ester Internal Electron Donor and Process W. R. GRACE & CO.-CONN. 2012-12-13 US disclosed
WO-2011106500-A1 AMIDE ESTER INTERNAL ELECTRON AND PROCESS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-01 WO disclosed
WO-2011106497-A1 HALOGENATED AMIDE ESTER AND INTERNAL ELECTRON DONOR WITH SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-01 WO disclosed
WO-2011106494-A1 PROCATALYST COMPOSITION WITH SUBSTITUTED AMIDE ESTER INTERNAL ELECTRON DONOR DOW GLOBAL TECHNOLOGIES LLC (US) 2011-09-01 WO disclosed
CN-1863784-B 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO 2010-11-17 CN disclosed
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
CN-1863784-A 2-naphthylimino-1,3-thiazine derivative SHIONOGI & CO (JP) 2006-11-15 CN disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP 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-20120322964-A1 Halogenated Amide Ester and Internal Electron Donor with Same NAT10, NAT1, NAA50 TSHR 759/4885TDP1 1375/4885
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 TSHR 440/4885TDP1 3815/4885

“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.