SCHEMBL13445656

SCHEMBL13445656

C=CC(=O)OCCCCOc1ccc(/C=C(\C#N)C(=O)OCC)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
HTT P42858 2/20 0.71
PKM P14618 1/20 0.71
MAPT P10636 8/20 0.62
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
HPGD P15428 5/20 0.60
NPSR1 Q6W5P4 2/20 0.60
RXFP1 Q9HBX9 2/20 0.60
KDM4E B2RXH2 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
DNM1 Q05193 1/20 0.50
CYP1A2 P05177 1/20 0.50
FDPS P14324 1/20 0.49
ESRRA P11474 1/20 0.49

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
SCHEMBL12309215 0.89 ALDH1A1 (0.55) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL27441149 0.89 ALDH1A1 (0.79) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL27441115 0.88 ALDH1A1 (0.77) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL27441127 0.88 ALDH1A1 (0.77) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL27441109 0.88 ALDH1A1 (0.77) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL27441094 0.88 ALDH1A1 (0.77) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL22259726 0.88 ALDH1A1 (0.80) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL13445260 0.87 ALDH1A1 (0.79) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL12309219 0.86 ALDH1A1 (0.52) ALDH1A1HTTPKMMAPTKMT2A
SCHEMBL8411959 0.85 ALDH1A1 (0.79) ALDH1A1HTTPKMMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8449794-B2 Non-resonant two-photon absorption recording material and non-resonant two-photon absorption compound FUJIFILM CORPORATION (JP) 2013-05-28 US disclosed
US-20120319059-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND FUJIFILM CORPORATION (JP) 2012-12-20 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-20090103153-A1 HOLOGRAPHIC RECORDING AND READING METHOD AND HOLOGRAPHIC RECORDING AND READING APPARATUS FUJIFILM CORPORATION (JP) 2009-04-23 US disclosed
US-20090088490-A1 TWO-PHOTON ABSORPTION RECORDING MATERIAL CONTAINING DYE HAVING POLYMERIZABLE GROUP FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090051988-A1 HOLOGRAPHIC RECORDING MEDIUM AND HOLOGRAPHIC RECORDING APPARATUS FUJIFILM CORPORATION (JP) 2009-02-26 US disclosed
EP-2003500-A2 Optical recording composition, holographic recording medium, and method of recording and reproducing information FUJIFILM Corporation (JP) 2008-12-17 EP disclosed
US-20080305405-A1 OPTICAL RECORDING COMPOSITION, HOLOGRAPHIC RECORDING MEDIUM, AND METHOD OF RECORDING AND REPRODUCING INFORMATION FUJIFILM CORPORATION (JP) 2008-12-11 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 (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-20100078607-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND SIGMAR1, SFN, CRY2 ALDH1A1 2184/4885HTT 3689/4885PKM 1462/4885
US-20090088490-A1 TWO-PHOTON ABSORPTION RECORDING MATERIAL CONTAINING DYE HAVING POLYMERIZABLE GROUP DCX, SLC18A2, KCNN2 ALDH1A1 2216/4885HTT 1068/4885PKM 1558/4885
US-20120319059-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL AND NON-RESONANT TWO-PHOTON ABSORPTION COMPOUND CRY2, KCNJ2, NONO ALDH1A1 1118/4885HTT 2622/4885PKM 3023/4885

“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.