SCHEMBL470762

SCHEMBL470762

N#C/C(=C1/c2ccccc2-c2c1c1c(c3c2/C(=C(\C#N)c2cccs2)c2ccccc2-3)/C(=C(\C#N)c2cccs2)c2ccccc2-1)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
DAO P14920 1/20 0.36
HPGDS O60760 1/20 0.36
ALDH1A1 P00352 5/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 3/20 0.35
POLB P06746 3/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 4/20 0.34
LMNA P02545 3/20 0.34
HDAC1 Q13547 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL470763 0.84 RAB9A (0.37) CES2CES1DAOHPGDSALDH1A1
SCHEMBL470757 0.75 CHRNB2 (0.38) ALDH1A1RAB9AMAPTNPC1POLB
SCHEMBL470756 0.73 MEN1 (0.35) ALDH1A1RAB9AMAPTNPC1POLB
SCHEMBL30661156 0.70 MAPT (0.37) ALDH1A1MAPTPOLBKDM4EHTT
SCHEMBL470752 0.70 MAPT (0.37) ALDH1A1MAPTPOLBKDM4EHTT
SCHEMBL470759 0.70 ALDH1A1 (0.38) CES2CES1ALDH1A1RAB9AMAPT
SCHEMBL10023031 0.69 MAPT (0.48) CES2CES1ALDH1A1RAB9AMAPT
SCHEMBL18904939 0.68 MAPT (0.34) ALDH1A1MAPTPOLBKDM4EKMT2A
SCHEMBL6188260 0.68 RAB9A (0.44) CES2CES1DAOALDH1A1RAB9A
SCHEMBL470758 0.68 MAPT (0.40) ALDH1A1MAPTKDM4EHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CES2 1425/4885CES1 2865/4885DAO 4197/4885
US-20190088879-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE PIEZO1, LEF1, L1CAM CES2 2192/4885CES1 3158/4885DAO 4160/4885
US-10424740-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device PIEZO1, LEF1, L1CAM CES2 2192/4885CES1 3158/4885DAO 4160/4885
US-10941144-B2 Organic electroluminescence device and electronic device L1CAM, ESR1, CHRM1 CES2 1425/4885CES1 2865/4885DAO 4197/4885
US-10840456-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device L1CAM, PIEZO1, LEF1 CES2 1083/4885CES1 2794/4885DAO 3311/4885

“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.