SCHEMBL21840887

SCHEMBL21840887

COc1ccc(N)cc1.[LiH]

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.94
MAPK1 P28482 2/20 0.94
ALDH1A1 P00352 5/20 0.89
CYP3A4 P08684 3/20 0.89
APP P05067 2/20 0.70
NR4A1 P22736 1/20 0.70
CA1 P00915 2/20 0.65
CA2 P00918 2/20 0.65
CA7 P43166 2/20 0.65
CA9 Q16790 2/20 0.65
CA12 O43570 1/20 0.65
CA14 Q9ULX7 1/20 0.65
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TP53 P04637 1/20 0.57
HPGD P15428 1/20 0.57
NFKB1 P19838 1/20 0.57

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
SCHEMBL8526630 0.97 TDP1 (1.00) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL5097 0.97
Ethane SCHEMBL11031442 0.94 TDP1 (0.94) TDP1MAPK1ALDH1A1CYP3A4APP
Hydrochloric Acid SCHEMBL3947579 0.94 ALDH1A1 (1.00) TDP1MAPK1ALDH1A1CYP3A4APP
Hydrochloric Acid SCHEMBL1827219 0.94 ALDH1A1 (1.00) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL357435 0.94 TDP1 (0.94) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL5601373 0.94 TDP1 (0.94) TDP1MAPK1ALDH1A1CYP3A4APP
Methane SCHEMBL22289589 0.94 TDP1 (0.94) TDP1MAPK1ALDH1A1CYP3A4APP
Hydrochloric Acid SCHEMBL208637 0.94 ALDH1A1 (1.00) TDP1MAPK1ALDH1A1CYP3A4APP
Hydrochloric Acid SCHEMBL4376059 0.94 ALDH1A1 (1.00) TDP1MAPK1ALDH1A1CYP3A4APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11891408-B2 Application of lithium 4-methoxyaniline in catalysis of hydroboration reaction of imine and borane SOOCHOW UNIVERSITY (CN) 2024-02-06 US claimed
CN-112500428-B Application of anilino lithium compound in catalyzing reaction of carboxylic acid compound and borane hydroboration 苏州大学 2022-04-15 CN claimed
CN-109651082-B Method for preparing aliphatic alcohol at room temperature 苏州大学 2021-11-09 CN claimed
US-20210221828-A1 APPLICATION OF LITHIUM 4-METHOXYANILINE IN CATALYSIS OF HYDROBORATION REACTION OF IMINE AND BORANE SOOCHOW UNIVERSITY (CN) 2021-07-22 US claimed
CN-112500428-A Application of anilino lithium compound in catalyzing reaction of carboxylic acid compound and borane hydroboration 苏州大学 2021-03-16 CN claimed
CN-109503641-B Method for preparing borate ester based on anilino lithium compound 苏州大学 2021-01-01 CN claimed
CN-109369696-B Method for preparing alcohol compound by using anilino lithium compound as catalyst 苏州大学 2021-01-01 CN claimed
CN-109485668-B Method for preparing boric acid ester at room temperature 苏州大学 2020-08-14 CN claimed
WO-2020118922-A1 METHOD FOR PREPARING BORIC ACID ESTER BASED ON LITHIUM COMPOUND 苏州大学 2020-06-18 WO claimed
CN-109289913-B Application of 4-methoxyanilino lithium in catalysis of imine and borane hydroboration reaction 苏州大学张家港工业技术研究院 2020-04-17 CN claimed
US-11891408-B2 Application of lithium 4-methoxyaniline in catalysis of hydroboration reaction of imine and borane SOOCHOW UNIVERSITY (CN) 2024-02-06 US disclosed
US-11891408-B2 Application of lithium 4-methoxyaniline in catalysis of hydroboration reaction of imine and borane SOOCHOW UNIVERSITY (CN) 2024-02-06 US disclosed
US-11891408-B2 Application of lithium 4-methoxyaniline in catalysis of hydroboration reaction of imine and borane SOOCHOW UNIVERSITY (CN) 2024-02-06 US disclosed
US-11845068-B2 Use of n-butyllithium for catalyzing hydroboration of imine and borane SOOCHOW UNIVERSITY (CN) 2023-12-19 US disclosed
US-11680075-B2 Application of 4-MePhNHLi in catalyzing hydroboration reaction of imine and borane SOOCHOW UNIVERSITY (CN) 2023-06-20 US disclosed
CN-109289913-B Application of 4-methoxyanilino lithium in catalysis of imine and borane hydroboration reaction 苏州大学张家港工业技术研究院 2020-04-17 CN disclosed
CN-109289913-B Application of 4-methoxyanilino lithium in catalysis of imine and borane hydroboration reaction 苏州大学张家港工业技术研究院 2020-04-17 CN disclosed
CN-109289913-B Application of 4-methoxyanilino lithium in catalysis of imine and borane hydroboration reaction 苏州大学张家港工业技术研究院 2020-04-17 CN disclosed
WO-2020073179-A1 APPLICATION OF LITHIUM 4-METHOXYANILINE IN CATALYSIS OF HYDROBORATION REACTION OF IMINE AND BORANE 南通纺织丝绸产业技术研究院 2020-04-16 WO disclosed
WO-2020073179-A1 APPLICATION OF LITHIUM 4-METHOXYANILINE IN CATALYSIS OF HYDROBORATION REACTION OF IMINE AND BORANE 南通纺织丝绸产业技术研究院 2020-04-16 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 (4 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-11680075-B2 Application of 4-MePhNHLi in catalyzing hydroboration reaction of imine and borane HRH4, HRH3, HRH1 TDP1 4322/4885MAPK1 2783/4885ALDH1A1 2372/4885
US-11845068-B2 Use of n-butyllithium for catalyzing hydroboration of imine and borane INMT, SLC6A12, ICMT TDP1 3005/4885MAPK1 2897/4885ALDH1A1 4186/4885
US-20210221828-A1 APPLICATION OF LITHIUM 4-METHOXYANILINE IN CATALYSIS OF HYDROBORATION REACTION OF IMINE AND BORANE ME1, MCM4, INMT TDP1 3311/4885MAPK1 1247/4885ALDH1A1 3287/4885
US-11891408-B2 Application of lithium 4-methoxyaniline in catalysis of hydroboration reaction of imine and borane ME1, MCM4, INMT TDP1 3311/4885MAPK1 1247/4885ALDH1A1 3287/4885

“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.