SCHEMBL5253085

SCHEMBL5253085

[c]1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR1A P08908 4/20 0.47
DRD2 P14416 1/20 0.47
LIPE Q05469 1/20 0.46
LTA4H P09960 1/20 0.44
MAPK14 Q16539 1/20 0.44
ALPG P10696 1/20 0.43
PTK2B Q14289 1/20 0.43
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
MAOB P27338 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL7834430 0.89 HTR1A (0.51) MAPTL3MBTL1MAPK1TDP1HTR1A
SCHEMBL7004124 0.87 BCHE (0.50) MAPTL3MBTL1MAPK1TDP1HTR1A
SCHEMBL7004776 0.84 HTR1A (0.49) MAPTL3MBTL1MAPK1TDP1HTR1A
SCHEMBL6215213 0.81 MAPT (0.67) MAPTL3MBTL1MAPK1TDP1HTR1A
SCHEMBL4198960 0.80 MAPT (0.44) MAPTL3MBTL1MAPK1TDP1HTR1A
SCHEMBL183414 0.78 MAPT (0.48) MAPTL3MBTL1MAPK1TDP1HTR1A
SCHEMBL7665943 0.78 THRA (0.51) MAPTL3MBTL1MAPK1TDP1MAPK14
SCHEMBL7668210 0.78 HTR1A (0.45) MAPTL3MBTL1MAPK1TDP1HTR1A
SCHEMBL27716224 0.78 KDM1A (0.46) MAPTL3MBTL1MAPK1TDP1HTR1A
SCHEMBL2767880 0.78 L3MBTL1 (0.48) MAPTL3MBTL1MAPK1TDP1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11324220-B2 Process for the preparation of isoxazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-05-10 US claimed
EP-3440062-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ISOXAZOLINE COMPOUNDS - CRYSTALLINE TOLUENE SOLVATE OF (S)-AFOXOLANER BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-10-06 EP claimed
US-20210022344-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-01-28 US claimed
US-10433552-B2 Process for the preparation of isoxazoline compounds MERIAL, INC. (US) 2019-10-08 US claimed
EP-3440062-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ISOXAZOLINE COMPOUNDS - CRYSTALLINE TOLUENE SOLVATE OF (S)-AFOXOLANER Merial, Inc. (US) 2019-02-13 EP claimed
CN-109195955-A Process for the preparation of crystalline toluene solvates of enantiomerically enriched isoxazoline compound- (S) -afoxolaner 梅里亚股份有限公司 2019-01-11 CN claimed
US-20170311601-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE COMPOUNDS MERIAL INC. (US) 2017-11-02 US claimed
WO-2017176948-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ISOXAZOLINE COMPOUNDS - CRYSTALLINE TOLUENE SOLVATE OF (S)-AFOXOLANER MERIAL, INC. (US) 2017-10-12 WO claimed
CN-109195955-B Process for the preparation of crystalline toluene solvates of enantiomerically enriched isoxazoline compound- (S) -afoxolaner 勃林格殷格翰动物保健美国公司 2022-10-18 CN disclosed
CN-114805234-A Process for the preparation of crystalline toluene solvates of enantiomerically enriched isoxazoline compound- (S) -afoxolaner 勃林格殷格翰动物保健美国公司 2022-07-29 CN disclosed
US-11324220-B2 Process for the preparation of isoxazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-05-10 US disclosed
EP-3440062-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ISOXAZOLINE COMPOUNDS - CRYSTALLINE TOLUENE SOLVATE OF (S)-AFOXOLANER BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-10-06 EP disclosed
US-20210022344-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-01-28 US disclosed
US-10750744-B2 Process for the preparation of isoxazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2020-08-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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-10750744-B2 Process for the preparation of isoxazoline compounds CYP3A7, CYP3A4, CYP3A5 MAPT 1694/4885L3MBTL1 4260/4885MAPK1 3132/4885
US-20210022344-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE COMPOUNDS CYP3A7, CYP3A4, CYP3A5 MAPT 1694/4885L3MBTL1 4260/4885MAPK1 3132/4885
US-20170311601-A1 PROCESS FOR THE PREPARATION OF ISOXAZOLINE COMPOUNDS CYP3A7, CYP3A4, CYP3A5 MAPT 1694/4885L3MBTL1 4260/4885MAPK1 3132/4885
US-10433552-B2 Process for the preparation of isoxazoline compounds CYP3A7, CYP3A4, CYP3A5 MAPT 1694/4885L3MBTL1 4260/4885MAPK1 3132/4885
US-11324220-B2 Process for the preparation of isoxazoline compounds CYP3A7, CYP3A4, CYP3A5 MAPT 1694/4885L3MBTL1 4260/4885MAPK1 3132/4885

“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.