SCHEMBL470757

SCHEMBL470757

N#C/C(=C1/c2ccccc2-c2c1c1c(c3c2/C(=C(\C#N)c2ccccc2)c2ccccc2-3)/C(=C(\C#N)c2ccccc2)c2ccccc2-1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 9/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 3/20 0.33
RAB9A P51151 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL470756 0.86 MEN1 (0.35) ALDH1A1MAPTLMNAHTTPOLB
SCHEMBL15470877 0.86 CHRNB2 (0.41) CHRNB2CHRNA4ALDH1A1MAPTLMNA
SCHEMBL470761 0.82 CHRNB2 (0.35) CHRNB2CHRNA4ALDH1A1MAPTLMNA
SCHEMBL470759 0.82 ALDH1A1 (0.38) ALDH1A1MAPTHSD17B10POLBRAB9A
SCHEMBL21125962 0.81 CHRNB2 (0.46) CHRNB2CHRNA4ALDH1A1MAPTLMNA
SCHEMBL470760 0.80 CES2 (0.41) ALDH1A1MAPTALOX15HSD17B10MAPK1
SCHEMBL15470887 0.79 LMNA (0.50) CHRNB2CHRNA4ALDH1A1MAPTLMNA
SCHEMBL15470896 0.76 CHRNB2 (0.37) CHRNB2CHRNA4ALDH1A1MAPTLMNA
SCHEMBL470752 0.75 MAPT (0.37) ALDH1A1MAPTHTTPOLBKMT2A
SCHEMBL30661156 0.75 MAPT (0.37) ALDH1A1MAPTHTTPOLBKMT2A

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
EP-3663288-B1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO (JP) 2022-06-08 EP disclosed
US-10941144-B2 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2021-03-09 US disclosed
US-10840456-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-11-17 US disclosed
US-10424740-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-09-24 US disclosed
US-20190088879-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-03-21 US disclosed
US-20180179206-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD., (JP) 2018-06-28 US disclosed
US-20140144509-A1 Compounds for Organic Photovoltaic Devices NOVALED AG (DE) 2014-05-29 US disclosed
WO-2012031735-A1 COMPOUNDS FOR ORGANIC PHOTOVOLTAIC DEVICES NOVALED AG (DE) 2012-03-15 WO 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-20180179206-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE L1CAM, ESR1, CHRM1 CHRNB2 677/4885CHRNA4 626/4885ALDH1A1 83/4885
US-20190088879-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE PIEZO1, LEF1, L1CAM CHRNB2 1651/4885CHRNA4 1097/4885ALDH1A1 404/4885
US-10424740-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device PIEZO1, LEF1, L1CAM CHRNB2 1651/4885CHRNA4 1097/4885ALDH1A1 404/4885
US-10941144-B2 Organic electroluminescence device and electronic device L1CAM, ESR1, CHRM1 CHRNB2 677/4885CHRNA4 626/4885ALDH1A1 83/4885
US-10840456-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device L1CAM, PIEZO1, LEF1 CHRNB2 1592/4885CHRNA4 879/4885ALDH1A1 21/4885

“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.