SCHEMBL3978494

SCHEMBL3978494

CN(C)C=C(C(=O)Br)C(=O)Br

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3456621 0.73 TSHR (0.35) TSHRALDH1A1
SCHEMBL20487873 0.73 TSHR (0.35) TSHRALDH1A1
SCHEMBL10136137 0.71 TSHR (0.33) TSHRALDH1A1
SCHEMBL28965784 0.67 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL5014116 0.67 L3MBTL1 (0.32) TSHRALDH1A1
SCHEMBL365556 0.67 MAPT (0.40) ALDH1A1
SCHEMBL4878126 0.67 L3MBTL1 (0.32) TSHRALDH1A1
SCHEMBL21464137 0.67 ALDH1A1 (0.30) TSHRALDH1A1
SCHEMBL5902788 0.67 CYP2C9 (0.35) TSHRALDH1A1
SCHEMBL4878121 0.67 L3MBTL1 (0.32) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534541-B2 Heterocycle-hydrazone based charge transport materials SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-05-19 US disclosed
US-7427460-B2 Hydrazone-based charge transport materials having an ethylenically unsaturated group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-09-23 US disclosed
US-7378203-B2 Ferrocene(di)carboxaldehyde N-phenylhydrazone and monomeric, bridged or polymeric derivatives; good mechanical and electrostatic properties; can be used with liquid and dry toners to produce high quality images; imaging systems can be maintained after repeated cycling; electrography SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-27 US disclosed
US-7371493-B2 Charge transport materials having a 1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-13 US disclosed
US-7364825-B2 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-29 US disclosed
US-7344811-B2 Polysilane-based charge transport materials SAMSUNG ELECTRONIC CO., LTD. (KR) 2008-03-18 US disclosed
US-7316878-B2 Hydrazone-based charge transport materials having an unsaturated acyl group SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-01-08 US disclosed
US-20060210897-A1 Charge transport materials having at least a metallocene group S-PRINTING SOLUTION CO., LTD. (KR) 2006-09-21 US disclosed
US-20060204875-A1 Charge transport materials having a 1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl group S-PRINTING SOLUTION CO., LTD. (KR) 2006-09-14 US disclosed
US-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group S-PRINTING SOLUTION CO., LTD. (KR) 2006-08-10 US disclosed
US-20060166118-A1 Heterocycle-hydrazone based charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2006-07-27 US disclosed
US-20060093933-A1 Polysilane-based charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2006-05-04 US disclosed
US-20060046171-A1 Hydrazone-based charge transport materials having an unsaturated acyl group S-PRINTING SOLUTION CO., LTD. (KR) 2006-03-02 US disclosed
US-20060024598-A1 Hydrazone-based charge transport materials having an ethylenically unsaturated group S-PRINTING SOLUTION CO., LTD. (KR) 2006-02-02 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-20060166118-A1 Heterocycle-hydrazone based charge transport materials AQP1, SLC9B2, SLC9A2 TSHR 1662/4885ALDH1A1 930/4885
US-20060204875-A1 Charge transport materials having a 1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl group TSPO, SLC43A1, LMNB2 TSHR 4024/4885ALDH1A1 2076/4885
US-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SLC1A2, SLC9B2, SLC6A19 TSHR 3280/4885ALDH1A1 1928/4885

“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.