SCHEMBL4157769

SCHEMBL4157769

CCOC(=O)c1ccccc1SSc1ccccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.65
TSHR P16473 4/20 0.62
ALDH1A1 P00352 8/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.47
CDC25B P30305 1/20 0.47
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL944028 0.93 TSHR (0.71) POLBTSHRALDH1A1HSD17B10LMNA
SCHEMBL11630368 0.90 TSHR (0.62) POLBTSHRALDH1A1HSD17B10LMNA
SCHEMBL11633418 0.83 TSHR (0.71) POLBTSHRALDH1A1HSD17B10LMNA
SCHEMBL50234 0.83 TSHR (0.84) POLBTSHRALDH1A1HSD17B10LMNA
SCHEMBL29628800 0.83 TSHR (0.84) POLBTSHRALDH1A1HSD17B10LMNA
Diethyl Phthalate SCHEMBL2697040 0.83 TSHR (0.84) POLBTSHRALDH1A1HSD17B10LMNA
Diethyl Phthalate SCHEMBL9132522 0.83 TSHR (0.84) POLBTSHRALDH1A1HSD17B10LMNA
Phthalic Acid SCHEMBL9132525 0.83 TSHR (0.84) POLBTSHRALDH1A1HSD17B10LMNA
Diethyl Phthalate SCHEMBL28274022 0.83 TSHR (0.84) POLBTSHRALDH1A1HSD17B10LMNA
Phthalic Acid SCHEMBL6234815 0.83 TSHR (0.84) POLBTSHRALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884519-B1 METAL HYDRIDE COMPLEX, METHOD OF HYDROGENATING RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN, AND PROCESS FOR PRODUCING PRODUCT OF HYDROGENATION OF RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN JSR CORP (JP) 2014-03-19 EP disclosed
US-20090176950-A1 METAL HYDRIDE COMPLEX, METHOD OF HYDROGENATING RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN, AND PROCESS FOR PRODUCING PRODUCT OF HYDROGENATION OF RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN JSR CORPORATION (JP) 2009-07-09 US disclosed
US-7449532-B2 Cycloolefin copolymer obtained by ring-opening polymerization, use thereof, and process for producing retardation plate comprising the copolymer JSR CORPORATION (JP) 2008-11-11 US disclosed
EP-1884519-A1 METAL HYDRIDE COMPLEX, METHOD OF HYDROGENATING RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN, AND PROCESS FOR PRODUCING PRODUCT OF HYDROGENATION OF RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN JSR Corporation (JP) 2008-02-06 EP disclosed
US-20070179264-A1 Copolymer of 8-methyl-8-methoxycarbonyltetracyclo[4.4.0.12,5.17,10]-3-dodecene or derivative with tricyclo[4.3.0.12,5]deca-3,7-diene or derivative; can be stretched even at low temperature around the glass transition temperature without causing cloudiness; excellent heat resistance and optical properties JSR CORPORATION (JP) 2007-08-02 US disclosed
EP-1739113-A1 CYCLOOLEFIN COPOLYMER OBTAINED BY RING-OPENING POLYMERIZATION, USE THEREOF, AND PROCESS FOR PRODUCING RETARDATION PLATE COMPRISING THE COPOLYMER JSR Corporation (JP) 2007-01-03 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 (1 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-20090176950-A1 METAL HYDRIDE COMPLEX, METHOD OF HYDROGENATING RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN, AND PROCESS FOR PRODUCING PRODUCT OF HYDROGENATION OF RING-OPENING POLYMERIZATION POLYMER OF CYCLOOLEFIN HPD, HMOX2, HAO2 POLB 405/4885TSHR 4545/4885ALDH1A1 2201/4885

“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.