SCHEMBL3979004

SCHEMBL3979004

C=COCCOS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL1118647 0.86 USP2 (0.58) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL3978798 0.86 TSHR (0.65) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL3982470 0.85 TSHR (0.62) USP2TSHRKDM4EALDH1A1LMNA
Ethane Dimethane Sulfonate SCHEMBL4148513 0.79 USP2 (0.67) USP2TSHRKDM4EALDH1A1LMNA
Ethane Dimethane Sulfonate SCHEMBL4149477 0.79 USP2 (0.67) USP2TSHRKDM4EALDH1A1LMNA
Ethane Dimethane Sulfonate SCHEMBL4140371 0.79 USP2 (0.67) USP2TSHRKDM4EALDH1A1LMNA
Ethane Dimethane Sulfonate SCHEMBL4143911 0.79 USP2 (0.67) USP2TSHRKDM4EALDH1A1LMNA
Ethane Dimethane Sulfonate SCHEMBL4154177 0.79 USP2 (0.67) USP2TSHRKDM4EALDH1A1LMNA
Ethane Dimethane Sulfonate SCHEMBL1336145 0.79 USP2 (0.75) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL2165944 0.78 USP2 (0.52) USP2TSHRKDM4EALDH1A1LMNA

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-7534541-B2 Heterocycle-hydrazone based charge transport materials SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-05-19 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-7351508-B2 Organophotoreceptors with a charge transport material having multiple vinyl-containing hydrazone groups SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-01 US disclosed
US-7344811-B2 Polysilane-based charge transport materials SAMSUNG ELECTRONIC CO., LTD. (KR) 2008-03-18 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-20060078351-A1 Organophotoreceptors with a charge transport material having multiple vinyl-containing hydrazone groups S-PRINTING SOLUTION CO., LTD. (KR) 2006-04-13 US disclosed
EP-0827970-B1 New acid-labile group protected hydroxystyrene polymers or copolymers thereof and their application to radiation sensitive materials CLARIANT FINANCE BVI LTD (VG) 2001-09-26 EP disclosed
US-5852128-A Acid-labile group protected hydroxystyrene polymers or copolymers thereof and their application to radiation sensitive materials CLARIANT AG (CH) 1998-12-22 US disclosed
EP-0827970-A2 New acid-labile group protected hydroxystyrene polymers or copolymers thereof and their application to radiation sensitive materials Clariant AG (CH) 1998-03-11 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 (4 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 USP2 4818/4885TSHR 1662/4885KDM4E 2960/4885
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 USP2 4493/4885TSHR 4024/4885KDM4E 488/4885
US-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SLC1A2, SLC9B2, SLC6A19 USP2 4837/4885TSHR 3280/4885KDM4E 3676/4885
US-20060078351-A1 Organophotoreceptors with a charge transport material having multiple vinyl-containing hydrazone groups SLC16A7, SLC16A1, SLC16A3 USP2 4676/4885TSHR 1823/4885KDM4E 2185/4885

“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.