SCHEMBL13019484

SCHEMBL13019484

[C-]#[N+]c1ccc(-c2ccc(-c3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.52
KIF11 P52732 3/20 0.47
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA1 P00915 1/20 0.44
CYP11B2 P19099 1/20 0.42
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HDAC2 Q92769 2/20 0.41
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NOTUM Q6P988 1/20 0.38
PTPN5 P54829 1/20 0.38
MMP2 P08253 2/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL8773276 1.00 MMP3 (0.52) MMP3KIF11CA12CA2CA9
SCHEMBL8974055 1.00 MMP3 (0.52) MMP3KIF11CA12CA2CA9
SCHEMBL13037668 0.94 MMP3 (0.47) MMP3KIF11CA12CA2CA9
SCHEMBL324969 0.93 CA2 (0.46) MMP3KIF11CA12CA2CA9
SCHEMBL8974057 0.89 LOXL2 (0.44) MMP3KIF11CA12CA2CA9
SCHEMBL10300064 0.86 CA2 (0.41) MMP3KIF11CA12CA2CA9
SCHEMBL11930764 0.86 ABCG2 (0.41) MMP3KIF11CA12CA2CA9
SCHEMBL13170815 0.86 MMP3 (0.40) MMP3KIF11CA12CA2CA9
SCHEMBL8974047 0.84 NPC1 (0.42) MMP3KIF11CA12CA2CA9
SCHEMBL13310619 0.83 CYP2A6 (0.55) MMP3KIF11CYP11B2CYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9711176-B2 Multilayer optical information recording disk and method for manufacturing same FUJIFILM CORPORATION (JP) 2017-07-18 US disclosed
US-9514779-B2 Method for manufacturing multilayer structure sheet, and optical information recording medium FUJIFILM CORPORATION (JP) 2016-12-06 US disclosed
US-20150364153-A1 METHOD FOR MANUFACTURING OPTICAL INFORMATION RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2015-12-17 US disclosed
US-20150318013-A1 MULTILAYER OPTICAL INFORMATION RECORDING DISK AND METHOD FOR MANUFACTURING SAME FUJIFILM CORPORATION (JP) 2015-11-05 US disclosed
US-8980396-B2 Optical information recording medium FUJIFILM CORPORATION (JP) 2015-03-17 US disclosed
US-8953427-B2 Optical information recording medium FUJIFILM CORPORATION (JP) 2015-02-10 US disclosed
US-20140193601-A1 METHOD FOR MANUFACTURING MULTILAYER STRUCTURE SHEET, AND OPTICAL INFORMATION RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2014-07-10 US disclosed
US-20140153375-A1 OPTICAL INFORMATION RECORDING MEDIUM, METHOD FOR MANUFACTURING SAME AND RECORDING METHOD FOR OPTICAL INFORMATION RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2014-06-05 US disclosed
US-8670296-B2 Optical information recording medium and optical information recording method FUJIFILM CORPORATION (JP) 2014-03-11 US disclosed
US-20140023816-A1 OPTICAL INFORMATION RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2014-01-23 US disclosed
US-20130229901-A1 OPTICAL INFORMATION RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2013-09-05 US disclosed
US-8526291-B2 Optical information recording medium FUJIFILM CORPORATION (JP) 2013-09-03 US disclosed
US-20130128710-A1 OPTICAL INFORMATION RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2013-05-23 US disclosed
US-20130100791-A1 OPTICAL INFORMATION RECORDING MEDIUM AND OPTICAL INFORMATION RECORDING METHOD FUJIFILM CORPORATION (JP) 2013-04-25 US disclosed
US-20100330496-A1 SIMULTANEOUS TWO-PHOTON ABSORPTION RECORDING-REPRODUCTION METHOD, AND SIMULTANEOUS TWO-PHOTON ABSORPTION RECORDING MATERIAL FOR USE THEREIN FUJIFILM CORPORATION (JP) 2010-12-30 US disclosed
US-20100078607-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20090246443-A1 SIMULTANEOUS TWO-PHOTON ABSORPTION THREE-DIMENSIONAL OPTICAL RECORDING MEDIUM AND SIMULTANEOUS TWO-PHOTON THREE-DIMENSIONAL OPTICAL RECORDING METHOD FUJIFILM CORPORATION (JP) 2009-10-01 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 (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-20100078607-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND SIGMAR1, SFN, CRY2 MMP3 2936/4885KIF11 4606/4885CA12 1568/4885

“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.