SCHEMBL13019487

SCHEMBL13019487

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA12 O43570 5/20 0.53
CA9 Q16790 5/20 0.53
CA14 Q9ULX7 5/20 0.53
TDP1 Q9NUW8 1/20 0.52
CA7 P43166 1/20 0.52
SETD7 Q8WTS6 1/20 0.50
PTPN1 P18031 1/20 0.49
TSHR P16473 1/20 0.48
EGFR P00533 1/20 0.47
ERN1 O75460 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.46
STS P08842 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL999008 0.94 CA1 (0.57) CA1CA2CA12CA9CA14
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.84 CA1 (0.70) CA1CA2CA12CA9CA14
SCHEMBL19387238 0.84 CA1 (0.70) CA1CA2CA12CA9CA14
Biphenyl Dimethyl Dicarboxylate SCHEMBL2890577 0.82 CA1 (0.67) CA1CA2CA12CA9CA14
SCHEMBL27589486 0.78 TSHR (0.64) CA1CA2CA12CA9CA14
SCHEMBL10009170 0.78 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL16749645 0.78 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL23600 0.77 CA1 (0.80) CA1CA2CA12CA9CA14
SCHEMBL28993944 0.77 CA1 (0.80) CA1CA2CA12CA9CA14
SCHEMBL4668655 0.76 CA1 (0.87) CA1CA2CA12CA9CA14

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 CA1 1381/4885CA2 1407/4885CA12 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.