SCHEMBL831973

SCHEMBL831973

O=C(O)C=Cc1ccnc(-c2cc(C=CC(=O)O)ccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 1/20 0.55
KDM4E B2RXH2 6/20 0.52
HDAC1 Q13547 4/20 0.52
HSD17B10 Q99714 3/20 0.52
HDAC3 O15379 3/20 0.52
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
ALDH1A1 P00352 3/20 0.52
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA3 P07451 3/20 0.52
CA4 P22748 3/20 0.52

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
SCHEMBL12669518 1.00 PIM2 (0.55) PIM2KDM4EHDAC1HSD17B10HDAC3
SCHEMBL17431578 0.93 PIM2 (0.50) PIM2KDM4EHDAC1HSD17B10HDAC3
SCHEMBL12669529 0.90 KDM4E (0.55) PIM2KDM4EHDAC1HSD17B10HDAC3
SCHEMBL30963342 0.90 KDM4E (0.55) PIM2KDM4EHDAC1HSD17B10HDAC3
SCHEMBL17057416 0.87 PIM2 (0.46) PIM2KDM4EHDAC1HSD17B10HDAC3
SCHEMBL12669519 0.87 HSD17B10 (0.49) PIM2KDM4EHDAC1HSD17B10HDAC3
SCHEMBL17428026 0.86 PIM2 (0.45) PIM2KDM4EHDAC1HSD17B10HDAC3
SCHEMBL2961000 0.81 KDM4E (0.49) PIM2KDM4EHDAC1HSD17B10HDAC3
SCHEMBL17157969 0.81 HDAC1 (0.58) PIM2KDM4EHDAC1HSD17B10HDAC3
SCHEMBL22229991 0.81 NR3C1 (0.51) PIM2KDM4EHDAC1HSD17B10HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106000386-B A kind of catalyst and the method using catalyst preparation 2,2 '-bipyridyl-the 4,4 '-diacrylate 河南省商业科学研究所有限责任公司 2018-08-14 CN claimed
CN-105906555-B The method that one kind prepares 2,2 '-bipyridyl -4,4 '-diacrylate 河南省商业科学研究所有限责任公司 2018-04-24 CN claimed
EP-2353195-B9 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS ECOLE POLYTECHNIQUE FED DE LAUSANNE EPFL EPFL TTO (CH) 2019-02-06 EP disclosed
EP-2353195-B1 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS ECOLE POLYTECHNIQUE FED DE LAUSANNE EPFL EPFL TTO (CH) 2018-10-10 EP disclosed
CN-106000386-B A kind of catalyst and the method using catalyst preparation 2,2 '-bipyridyl-the 4,4 '-diacrylate 河南省商业科学研究所有限责任公司 2018-08-14 CN disclosed
CN-105906555-B The method that one kind prepares 2,2 '-bipyridyl -4,4 '-diacrylate 河南省商业科学研究所有限责任公司 2018-04-24 CN disclosed
CN-106000386-A Catalyst, and method for preparing 2,2'-dipyridyl-4,4'-diacrylic acid by using catalyst 河南省商业科学研究所有限责任公司 2016-10-12 CN disclosed
CN-105906555-A Preparation method of 2, 2'-bipyridine-4, 4'-diacrylic acid 河南省商业科学研究所有限责任公司 2016-08-31 CN disclosed
CN-105906555-A Preparation method of 2, 2'-bipyridine-4, 4'-diacrylic acid 河南省商业科学研究所有限责任公司 2016-08-31 CN disclosed
CN-105906555-A Preparation method of 2, 2'-bipyridine-4, 4'-diacrylic acid 河南省商业科学研究所有限责任公司 2016-08-31 CN disclosed
US-8962977-B2 Photoelectric conversion devices comprising novel ligands and sensitizers ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2015-02-24 US disclosed
US-8143399-B2 Photosensitizer dye NATIONAL CENTRAL UNIVERSITY (TW) 2012-03-27 US disclosed
US-20110303267-A1 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2011-12-15 US disclosed
EP-2353195-A1 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2011-08-10 EP disclosed
US-20110108117-A1 PHOTOSENSITIZER AND PHOTOVOLTAIC DEVICE JX NIPPON OIL & ENERGY CORPORATION (JP) 2011-05-12 US disclosed
EP-2262049-A1 NOVEL PHOTOSENSITIZER AND PHOTOVOLTAIC ELEMENT JX Nippon Oil & Energy Corporation (JP) 2010-12-15 EP disclosed
WO-2010055470-A1 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2010-05-20 WO disclosed
US-20100071763-A1 NOBLE RUTHENIUM-TYPE SENSITIZER AND METHOD OF PREPARING THE SAME DONGJIN SEMICHEM CO., LTD. (KR) 2010-03-25 US disclosed
US-20090209761-A1 PHOTOSENSITIZER DYE NATIONAL CENTRAL UNIVERSITY (TW) 2009-08-20 US disclosed
US-20090209762-A1 PHOTOSENSITIZER DYE NATIONAL CENTRAL UNIVERSITY (TW) 2009-08-20 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 (5 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-20110303267-A1 PHOTOELECTRIC CONVERSION DEVICES COMPRISING NOVEL LIGANDS AND SENSITIZERS CRY1, NECTIN4, PYCR1 PIM2 814/4885KDM4E 366/4885HDAC1 3621/4885
US-20100071763-A1 NOBLE RUTHENIUM-TYPE SENSITIZER AND METHOD OF PREPARING THE SAME MSH6, CRY1, MKI67 PIM2 2770/4885KDM4E 723/4885HDAC1 4804/4885
US-20090209762-A1 PHOTOSENSITIZER DYE CRY2, CRY1, PPOX PIM2 3151/4885KDM4E 3887/4885HDAC1 442/4885
US-20110108117-A1 PHOTOSENSITIZER AND PHOTOVOLTAIC DEVICE CRY2, MLX, MLEC PIM2 462/4885KDM4E 317/4885HDAC1 1366/4885
US-20090209761-A1 PHOTOSENSITIZER DYE CRY1, CRY2, TYR PIM2 3787/4885KDM4E 3317/4885HDAC1 167/4885

“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.