SCHEMBL2539263

SCHEMBL2539263

C=CCN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
POLB P06746 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
CASP3 P42574 1/20 0.62
CYP1B1 Q16678 2/20 0.61
HEXA P06865 6/20 0.57
HEXB P07686 6/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CRHBP P24387 1/20 0.56
MAPK1 P28482 1/20 0.56
CRHR2 Q13324 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.56
AKR1B1 P15121 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL22717027 0.85 MPO (0.62) ALDH1A1POLBRXFP1CASP3CYP1B1
SCHEMBL5369859 0.84 ALDH1A1 (0.62) ALDH1A1POLBRXFP1CASP3CYP1B1
SCHEMBL7319904 0.84 CYP1B1 (0.62) ALDH1A1POLBCYP1B1HEXAHEXB
SCHEMBL31377051 0.83 CASP3 (0.85) ALDH1A1POLBRXFP1CASP3MEN1
SCHEMBL26361660 0.83 ALDH1A1 (0.63) ALDH1A1POLBRXFP1CASP3MEN1
SCHEMBL170913 0.83 CASP3 (0.85) ALDH1A1POLBRXFP1CASP3MEN1
Methane SCHEMBL4623788 0.81 CASP3 (0.82) ALDH1A1POLBRXFP1CASP3MEN1
SCHEMBL22717009 0.81 FTO (0.64) ALDH1A1POLBRXFP1CASP3MEN1
SCHEMBL5814604 0.79 CYP1B1 (0.67) ALDH1A1POLBCYP1B1HEXAHEXB
SCHEMBL11801136 0.79 HEXA (0.58) ALDH1A1CYP1B1HEXAHEXBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118085849-A Magnetic mesoporous silica surface molecular imprinting fluorescence sensor and preparation method and application thereof 陕西科技大学 2024-05-28 CN claimed
CN-115791725-A Molecular imprinting ratio fluorescence sensor and preparation method and application thereof 陕西科技大学 2023-03-14 CN claimed
CN-109928927-B Application of two-photon fluorescent probe for detecting cytochrome oxidase CYP3A4 大连医科大学 2022-05-13 CN claimed
CN-109721691-B Single-component polysiloxane photoinitiator capable of overcoming oxygen inhibition and preparation method thereof 武汉大学 2021-06-04 CN claimed
US-10317393-B2 Alkynyl sugar analogs for labeling and visualization of glycoconjugates in cells ACADEMIA SINICA (TW) 2019-06-11 US claimed
US-20180106780-A1 ALKYNYL SUGAR ANALOGS FOR LABELING AND VISUALIZATION OF GLYCOCONJUGATES IN CELLS ACADEMIA SINICA (TW) 2018-04-19 US claimed
US-9816981-B2 Alkynyl sugar analogs for labeling and visualization of glycoconjugates in cells ACADEMIA SINICA (TW) 2017-11-14 US claimed
US-8329413-B2 Glycoproteomic probes for fluorescent imaging of fucosylated glycans in vivo ACADEMIA SINICA (TW) 2012-12-11 US claimed
US-20120149887-A1 ALKYNYL SUGAR ANALOGS FOR LABELING AND VISUALIZATION OF GLYCOCONJUGATES IN CELLS ACADEMIA SINICA (TW) 2012-06-14 US claimed
US-20110257376-A1 GLYCOPROTEOMIC PROBES FOR FLUORESCENT IMAGING OF FUCOSYLATED GLYCANS IN VIVO ACADEMIA SINICA (TW) 2011-10-20 US claimed
US-20080241856-A1 Glycoproteomic probes for fluorescent imaging of fucosylated glycans in vivo ACADEMIA SINICA (TW) 2008-10-02 US claimed
CN-118085849-A Magnetic mesoporous silica surface molecular imprinting fluorescence sensor and preparation method and application thereof 陕西科技大学 2024-05-28 CN disclosed
CN-115791725-A Molecular imprinting ratio fluorescence sensor and preparation method and application thereof 陕西科技大学 2023-03-14 CN disclosed
US-20220228054-A1 FLUORESCENT NAPHTHALIMIDE POLYMERS AND SOLUTIONS THEREOF FOR SCALE CONTROL IN AQUEOUS SYSTEMS NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2022-07-21 US disclosed
CN-109928927-B Application of two-photon fluorescent probe for detecting cytochrome oxidase CYP3A4 大连医科大学 2022-05-13 CN disclosed
US-7910319-B2 Incubating azido-derivatized fucose analog in cell to form azido-derivatized glycoconjugate which is contacted with probe, based on copper-catalyzed cycloaddition of probe comprising alkynyl group; fucosyltransferases; microscopy ACADEMIA SINICA (TW) 2011-03-22 US disclosed
US-20080275154-A1 Photoradical polymerization initiator, radical generator, photosensitive compound and photosensitive resin composition containing these materials and product or its accessory portions using the composition SAKAYORI KATSUYA 2008-11-06 US disclosed
US-20080241856-A1 Glycoproteomic probes for fluorescent imaging of fucosylated glycans in vivo ACADEMIA SINICA (TW) 2008-10-02 US disclosed
US-7410746-B2 Photoradical polymerization initiator, radical generator, photosensitive compound and photosensitive resin composition containing these materials and product or its accessory portions using the composition DAI NIPPON PRINTING CO., LTD. (JP) 2008-08-12 US disclosed
US-20040023159-A1 Photoradical polymerization initiator, radical generator, photosensitive compound and photosensitive resin composition containing these materials and product or its accessory portions using the composition DAI NIPPON PRINTING CO., LTD. (JP) 2004-02-05 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 (2 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-20120149887-A1 ALKYNYL SUGAR ANALOGS FOR LABELING AND VISUALIZATION OF GLYCOCONJUGATES IN CELLS FUCA2, ALG1, MANBA ALDH1A1 450/4885POLB 4815/4885RXFP1 4688/4885
US-20110257376-A1 GLYCOPROTEOMIC PROBES FOR FLUORESCENT IMAGING OF FUCOSYLATED GLYCANS IN VIVO FUCA2, FUCA1, FUT6 ALDH1A1 602/4885POLB 4722/4885RXFP1 2754/4885

“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.