SCHEMBL67905

SCHEMBL67905

CC(=O)OCCCNCCCOC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
TSHR P16473 1/20 0.44
GALR3 O60755 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL68495 0.93 ALDH1A1 (0.56) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL23787609 0.91 ALDH1A1 (0.61) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL30604754 0.89 ALDH1A1 (0.65) ALDH1A1TSHRPAOXFAAHACHE
SCHEMBL13003549 0.89 ALDH1A1 (0.58) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL5551561 0.88 PAOX (0.52) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
SCHEMBL30051131 0.88 ALDH1A1 (0.63) ALDH1A1TSHRPAOXFAAHACHE
Acetic Acid Butyl Ester SCHEMBL28409683 0.87 ALDH1A1 (0.75) ALDH1A1TSHRPAOXFAAHACHE
SCHEMBL24929487 0.85 ALDH1A1 (0.65) ALDH1A1TSHRPAOXFAAHACHE
SCHEMBL8204151 0.84 ALDH1A1 (0.44) ALDH1A1CHRM5CHRM1CHRM3PGR
SCHEMBL68618 0.84 ALDH1A1 (0.50) ALDH1A1CHRM5CHRM1CHRM3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410166-B1 Organic electroluminescence device doping device and organic electroluminescence device FUTABA CORPORATION (JP) 2002-06-25 US claimed
US-11751472-B2 Aromatic amine derivative and elecroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2023-09-05 US disclosed
US-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2023-06-13 US disclosed
US-11538997-B2 Aromatic amine derivative and electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2022-12-27 US disclosed
US-20210384446-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2021-12-09 US disclosed
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2021-12-02 US disclosed
US-11152574-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2021-10-19 US disclosed
US-11133478-B2 Aromatic amine derivative and organic electroluminescent device using the same IDEMITSU KOSAN CO., LTD. (JP) 2021-09-28 US disclosed
US-11094888-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2021-08-17 US disclosed
US-20210083194-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2021-03-18 US disclosed
EP-0881198-A1 DETERIORATION PREVENTIVE FOR CONCRETE OR MORTAR AND METHOD FOR PREVENTING DETERIORATION OF CONCRETE OR MORTAR TOYO INK MANUFACTURING CO., LTD. (JP) 1998-12-02 EP disclosed
EP-0847228-A2 Material for organoelectroluminescence device and use thereof TOYO INK MANUFACTURING CO., LTD. (JP) 1998-06-10 EP disclosed
US-5698740-A ELECTROLUMINESCENCE TOYO INK MANUFACTURING CO., LTD. (JP) 1997-12-16 US disclosed
US-5681664-A CONTAINING A POLYAMINE TOYO INK MANUFACTURING CO., LTD. (JP) 1997-10-28 US disclosed
EP-0786926-A2 Light-emitting material for organo-electroluminescence device and organo-electroluminescence devive for which the light-emitting material is adapted TOYO INK MANUFACTURING CO., LTD. (JP) 1997-07-30 EP disclosed
EP-0779765-A2 Hole-transporting material and use thereof TOYO INK MANUFACTURING CO., LTD. (JP) 1997-06-18 EP disclosed
EP-0757088-A2 Organoelectroluminescence device material and organoelectroluminescence device for which the material is adapted TOYO INK MANUFACTURING CO., LTD. (JP) 1997-02-05 EP disclosed
US-5585213-A ELECTROLUMINESCENCE DEVICE, ELECTROGRAPHY TOYO INK MANUFACTURING CO., LTD. (JP) 1996-12-17 US disclosed
EP-0699654-A1 Hole-transporting material TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-06 EP disclosed
EP-0687133-A2 Hole-transporting material and its use TOYO INK MANUFACTURING CO., LTD. (JP) 1995-12-13 EP 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 (9 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-11152574-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPL21, RPS21, AOC2 ALDH1A1 1166/4885CHRM5 909/4885CHRM1 323/4885
US-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPS17, RPS19, CDK17 ALDH1A1 1038/4885CHRM5 599/4885CHRM1 697/4885
US-11751472-B2 Aromatic amine derivative and elecroluminescence device using the same ALK, ALKBH3, ACVRL1 ALDH1A1 177/4885CHRM5 150/4885CHRM1 174/4885
US-20210083194-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE RPL21, RPS21, AOC2 ALDH1A1 1166/4885CHRM5 909/4885CHRM1 323/4885
US-11538997-B2 Aromatic amine derivative and electroluminescence device using the same EML4, DDC, TYR ALDH1A1 470/4885CHRM5 79/4885CHRM1 92/4885
US-20210384446-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DDT, TYR, DDC ALDH1A1 334/4885CHRM5 387/4885CHRM1 494/4885
US-11133478-B2 Aromatic amine derivative and organic electroluminescent device using the same DDT, TYR, DDC ALDH1A1 334/4885CHRM5 387/4885CHRM1 494/4885
US-11094888-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle SLC18A1, SLC18A2, AOC2 ALDH1A1 171/4885CHRM5 896/4885CHRM1 1034/4885
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE RPS17, RPS19, CDK17 ALDH1A1 1038/4885CHRM5 599/4885CHRM1 697/4885

“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.