SCHEMBL29556201

SCHEMBL29556201

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.45
LIPG Q9Y5X9 13/20 0.45
ROCK1 Q13464 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CSF1R P07333 1/20 0.35
EGFR P00533 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
BACE1 P56817 1/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL253525 1.00 LPL (0.45) LPLLIPGROCK1CA1CA2
SCHEMBL1328329 0.88 LPL (0.45) LPLLIPGROCK1CA1CA2
SCHEMBL16290518 0.88 LPL (0.45) LPLLIPGROCK1CA1CA2
SCHEMBL2412157 0.85 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL2408634 0.84 CSF1R (0.42) LPLLIPGCA1CA2CA9
SCHEMBL20448945 0.84 CSF1R (0.42) LPLLIPGCA1CA2CA9
SCHEMBL26927507 0.84 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL365686 0.84 AAK1 (0.45) LPLLIPGCA1CA2CA9
SCHEMBL142144 0.83 LPL (0.49) LPLLIPGROCK1CA1CA2
SCHEMBL130052 0.82 LPL (0.40) LPLLIPGCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541809-B1 NOVEL SUBSTITUTED N-(3-FLUOROPROPYL)-PYRROLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2025-06-25 EP disclosed
US-20240376073-A1 QUATERNARY AMMONIUM CATION SUBSTITUTED COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN-LA ROCHE INC. (US) 2024-11-14 US disclosed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-12-15 US disclosed
CN-109963848-B Substituted N- (3-fluoropropyl) -pyrrolidine compounds, preparation thereof and therapeutic use thereof 赛诺菲 2022-07-05 CN disclosed
CN-108689924-B 4-amino-6- (4-substituted phenyl) -pyridine-2-carboxylic acid esters and their use as herbicides 美国陶氏益农公司 2022-04-12 CN 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-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS MRPL21, F12, MRPS34 LPL 3989/4885LIPG 4596/4885ROCK1 3888/4885
US-20240376073-A1 QUATERNARY AMMONIUM CATION SUBSTITUTED COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS CFTR, HRH1, HRH4 LPL 4624/4885LIPG 4835/4885ROCK1 4030/4885

“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.