SCHEMBL4879042

SCHEMBL4879042

CC1(C)OB(c2cccc(C(F)(F)F)c2F)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.39
LIPG Q9Y5X9 5/20 0.39
JAK2 O60674 2/20 0.36
BTK Q06187 2/20 0.36
LIPE Q05469 5/20 0.35
MPL P40238 3/20 0.33
F2 P00734 1/20 0.32
F11 P03951 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
HCAR1 Q9BXC0 1/20 0.31

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
SCHEMBL31440036 1.00 LPL (0.39) LPLLIPGJAK2BTKLIPE
SCHEMBL2027698 0.88 LPL (0.38) LPLLIPGJAK2BTKLIPE
SCHEMBL1478043 0.88 LPL (0.40) LPLLIPGLIPEF2F11
SCHEMBL29556711 0.88 LPL (0.40) LPLLIPGLIPEF2F11
SCHEMBL24630498 0.85 LPL (0.46) LPLLIPGJAK2BTK
SCHEMBL29382961 0.84 LPL (0.43) LPLLIPGLIPEF2F11
SCHEMBL9755 0.84 LPL (0.43) LPLLIPGLIPEF2F11
SCHEMBL29418644 0.83 LPL (0.36) LPLLIPGJAK2BTKLIPE
SCHEMBL23043322 0.83 LPL (0.36) LPLLIPGJAK2BTKLIPE
SCHEMBL13601624 0.83 LPL (0.37) LPLLIPGJAK2BTKLIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3459943-B1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-22 EP disclosed
EP-3459943-B1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-22 EP disclosed
EP-3459943-A1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-27 EP disclosed
EP-3459943-A1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-27 EP disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20080076771-A1 Thrombopoietin Receptor Agonists REITER LAWRENCE A 2008-03-27 US disclosed
EP-1794156-A2 TROMBOPOIETIN RECEPTOR AGONISTS Pfizer Products Incorporated (US) 2007-06-13 EP disclosed
EP-1506190-B1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER HOFFMANN LA ROCHE (CH) 2006-06-14 EP disclosed
WO-2006033005-A2 THROMBOPOIETIN RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2006-03-30 WO disclosed
US-7005432-B2 Substituted imidazol-pyridazine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-02-28 US disclosed
EP-1506190-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2005-02-16 EP disclosed
US-20030229096-A1 Substituted imidazol-pyridazine derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-12-11 US disclosed
WO-2003097637-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 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 (3 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 LPL 2323/4885LIPG 1130/4885JAK2 860/4885
US-20030229096-A1 Substituted imidazol-pyridazine derivatives GRIN2B, GRIN2A, GRIN2C LPL 4626/4885LIPG 4808/4885JAK2 2680/4885
US-20080076771-A1 Thrombopoietin Receptor Agonists MPL, THPO, TBXA2R LPL 1347/4885LIPG 593/4885JAK2 52/4885

“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.