SCHEMBL19356992

SCHEMBL19356992

CC1(C)OB(c2ccc(C(F)(F)C(F)(F)F)c(F)c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.46
LIPG Q9Y5X9 13/20 0.46
ROCK1 Q13464 1/20 0.40
F11 P03951 3/20 0.38
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
EGFR P00533 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL21853794 0.88 LPL (0.46) LPLLIPGROCK1F11F2
SCHEMBL29847114 0.88 LPL (0.46) LPLLIPGROCK1F11F2
SCHEMBL321493 0.87 LPL (0.49) LPLLIPGROCK1F11F2
SCHEMBL25981600 0.82 LPL (0.45) LPLLIPGROCK1F11F2
SCHEMBL17645816 0.81 LPL (0.46) LPLLIPGROCK1F11F2
SCHEMBL1330068 0.81 LPL (0.46) LPLLIPGROCK1F11F2
SCHEMBL25981597 0.80 LIPG (0.46) LPLLIPGROCK1F11F2
SCHEMBL239104 0.78 LPL (0.56) LPLLIPGROCK1F11F2
SCHEMBL4032950 0.78 LPL (0.49) LPLLIPGROCK1F11F2
SCHEMBL30692214 0.77 LPL (0.47) LPLLIPGROCK1F11F2

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
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-16 US disclosed
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-11-16 US disclosed
WO-2022069421-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-04-07 WO disclosed
US-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 US disclosed
US-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 US disclosed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 EP disclosed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 WO disclosed
WO-2017157885-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-09-21 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 (2 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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES CHRM1, CHRM2, ACHE LPL 4004/4885LIPG 4746/4885ROCK1 1300/4885
US-20230371363-A1 COMPOUNDS THAT CAN BE USED FOR STRUCTURING FUNCTIONAL LAYERS OF ORGANIC ELECTROLUMINESCENT DEVICES EPCAM, SELE, CTCF LPL 2596/4885LIPG 1823/4885ROCK1 4463/4885

“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.