SCHEMBL1963896

SCHEMBL1963896

O=C1C(=O)c2cc(I)ccc2-c2ccc(I)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 7/20 0.50
CES1 P23141 3/20 0.50
TGM2 P21980 1/20 0.50
CASP3 P42574 1/20 0.47
PTPRC P08575 8/20 0.43
TDP2 O95551 4/20 0.43
MEN1 O00255 3/20 0.43
APAF1 O14727 3/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
RAB9A P51151 3/20 0.43
GALK1 P51570 3/20 0.43
BLM P54132 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
PLA2G1B P04054 2/20 0.43
POLB P06746 2/20 0.43
PLCG1 P19174 2/20 0.43

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
SCHEMBL1795929 0.94 TGM2 (0.50) S100A4CES1TGM2CASP3PTPRC
SCHEMBL745377 0.91 PTPRC (0.59) S100A4CES1PTPRCTDP2MEN1
SCHEMBL16267346 0.89 MAOA (0.50) S100A4CES1TGM2CASP3PTPRC
SCHEMBL1795673 0.85 MEN1 (0.55) S100A4CES1CASP3PTPRCTDP2
SCHEMBL21224167 0.83 TGM2 (0.50) CES1TGM2CASP3PTPRCTDP2
SCHEMBL6449287 0.82 MEN1 (0.57) S100A4CES1TGM2CASP3PTPRC
SCHEMBL1794418 0.82 S100A4 (0.68) S100A4CES1TGM2CASP3PTPRC
SCHEMBL6230979 0.82 TGM2 (0.41) S100A4CES1TGM2CASP3PTPRC
SCHEMBL14838621 0.80 MEN1 (0.55) S100A4CES1TGM2CASP3PTPRC
SCHEMBL24297719 0.77 CASP3 (0.40) S100A4CES1TGM2CASP3TDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183872-A1 ELECTROCHEMICALLY MEDIATED GAS CAPTURE, INCLUDING FROM LOW CONCENTRATION STREAMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-15 US disclosed
US-20230183872-A1 ELECTROCHEMICALLY MEDIATED GAS CAPTURE, INCLUDING FROM LOW CONCENTRATION STREAMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-15 US disclosed
US-20210242452-A1 Rechargeable Aluminum Organic Batteries SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2021-08-05 US disclosed
US-20210062351-A1 ELECTROCHEMICALLY MEDIATED GAS CAPTURE, INCLUDING FROM LOW CONCENTRATION STREAMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-03-04 US disclosed
US-20150194665-A1 ELECTRODE ACTIVE MATERIAL FOR POWER STORAGE DEVICE AND POWER STORAGE DEVICE, AND ELECTRONIC EQUIPMENT AND TRANSPORT EQUIPMENT PANASONIC CORP (JP) 2015-07-09 US disclosed
US-20150194665-A1 ELECTRODE ACTIVE MATERIAL FOR POWER STORAGE DEVICE AND POWER STORAGE DEVICE, AND ELECTRONIC EQUIPMENT AND TRANSPORT EQUIPMENT PANASONIC CORP (JP) 2015-07-09 US disclosed
US-20150194665-A1 ELECTRODE ACTIVE MATERIAL FOR POWER STORAGE DEVICE AND POWER STORAGE DEVICE, AND ELECTRONIC EQUIPMENT AND TRANSPORT EQUIPMENT PANASONIC CORP (JP) 2015-07-09 US disclosed
EP-2128121-B1 ELECTRODE ACTIVE MATERIAL COMPRISING A PHENANTHRENEQUINONE COMPOUND AND ELECTRICAL STORAGE DEVICE INCLUDING THE SAME PANASONIC CORP (JP) 2013-09-11 EP disclosed
US-8445630-B2 Polymers BASF SE (DE) 2013-05-21 US disclosed
US-8445630-B2 Polymers BASF SE (DE) 2013-05-21 US disclosed
US-20100047688-A1 PHENANTHRENEQUINONE COMPOUND, ELECTRODE ACTIVE MATERIAL, AND POWER STORAGE DEVICE PANASONIC CORPORATION (JP) 2010-02-25 US disclosed
EP-2128121-A1 PHENANTHRENEQUINONE COMPOUND, ELECTRODE ACTIVE MATERIAL, AND ELECTRICAL STORAGE DEVICE Panasonic Corporation (JP) 2009-12-02 EP disclosed
EP-1858976-B1 NOVEL POLYMERS BASF SE (DE) 2009-10-14 EP disclosed
EP-1858976-B1 NOVEL POLYMERS BASF SE (DE) 2009-10-14 EP disclosed
US-20090105447-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2009-04-23 US disclosed
US-20090105447-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2009-04-23 US disclosed
US-20090105447-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2009-04-23 US disclosed
CN-101142275-A Novel polymers CIBA SC HOLDING AG (CH) 2008-03-12 CN disclosed
EP-1858976-A1 NOVEL POLYMERS Ciba Specialty Chemicals Holding Inc. (CH) 2007-11-28 EP disclosed
WO-2006097419-A1 NOVEL POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-09-21 WO 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-20090105447-A1 Novel Polymers PLEC, VIM, PUF60 S100A4 775/4885CES1 3342/4885TGM2 3194/4885
US-20100047688-A1 PHENANTHRENEQUINONE COMPOUND, ELECTRODE ACTIVE MATERIAL, AND POWER STORAGE DEVICE RECQL, POLQ, COQ8A S100A4 3966/4885CES1 4344/4885TGM2 3150/4885
US-20210242452-A1 Rechargeable Aluminum Organic Batteries NQO1, BLM, RECQL S100A4 293/4885CES1 4666/4885TGM2 622/4885

“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.