SCHEMBL253525

SCHEMBL253525

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
SCHEMBL29556201 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
SCHEMBL365686 0.84 AAK1 (0.45) LPLLIPGCA1CA2CA9
SCHEMBL2408634 0.84 CSF1R (0.42) LPLLIPGCA1CA2CA9
SCHEMBL20448945 0.84 CSF1R (0.42) LPLLIPGCA1CA2CA9
SCHEMBL26927507 0.84 LPL (0.41) 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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof BAUSCH + LOMB IRELAND LIMITED (IE) 2025-10-07 — — US disclosed
US-20240308965-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2024-09-19 — — US disclosed
US-11993587-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-05-28 — — US disclosed
EP-4313951-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-02-07 — — EP disclosed
US-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2023-12-19 — — US disclosed
CN-117062804-A 1, 3-substituted cyclobutyl derivatives and their use 诺华股份有限公司 2023-11-14 — — CN disclosed
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 — — US disclosed
EP-4161930-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed
WO-2023280733-A1 QUATERNARY AMMONIUM CATION SUBSTITUTED COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-12 — — WO disclosed
WO-2012151525-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2012-11-08 — — WO disclosed
EP-2508513-A1 2-PYRIDONE COMPOUNDS Taisho Pharmaceutical Co., Ltd. (JP) 2012-10-10 — — EP disclosed
EP-2508513-A1 2-PYRIDONE COMPOUNDS Taisho Pharmaceutical Co., Ltd. (JP) 2012-10-10 — — EP disclosed
US-20120232083-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC 2012-09-13 — — US disclosed
WO-2012120397-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-09-13 — — WO disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 — — WO disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 — — WO disclosed
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 — — US disclosed
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 — — US disclosed
US-20110237791-A1 2-PYRIDONE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-09-29 — — US 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 (7 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-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 LPL 3542/4885LIPG 2891/4885ROCK1 3094/4885
US-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 LPL 3542/4885LIPG 2891/4885ROCK1 3094/4885
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 LPL 4512/4885LIPG 4848/4885ROCK1 2745/4885
US-20110237791-A1 2-PYRIDONE COMPOUNDS PDXK, HK1, KCNJ2 LPL 1883/4885LIPG 3808/4885ROCK1 2097/4885
US-20240308965-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF TRPV1, TRPV3, TRPV2 LPL 3542/4885LIPG 2891/4885ROCK1 3094/4885
US-20120232083-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PRDX1, PRXL2A, PRDX4 LPL 671/4885LIPG 1488/4885ROCK1 4129/4885
US-11993587-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C LPL 3062/4885LIPG 3598/4885ROCK1 4308/4885

“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.

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