SCHEMBL3237997

SCHEMBL3237997

CC1(C)OB(c2cc(Cl)c(O[Si](C)(C)C(C)(C)C)c(Cl)c2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.35
FFAR1 O14842 1/20 0.35
AAK1 Q2M2I8 2/20 0.34
LPL P06858 5/20 0.33
LIPG Q9Y5X9 5/20 0.33
DGAT1 O75907 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL425267 0.82 LPL (0.38) EGFRFFAR1AAK1LPLLIPG
SCHEMBL9986782 0.80 FFAR1 (0.37) FFAR1AAK1LPLLIPGDGAT1
SCHEMBL3239432 0.77 LPL (0.38) AAK1LPLLIPGCA1CA2
SCHEMBL14956934 0.75 LPL (0.37) EGFRFFAR1AAK1LPLLIPG
SCHEMBL26334789 0.75 FFAR1 (0.34) FFAR1AAK1LPLLIPGDGAT1
SCHEMBL18736534 0.75 FFAR1 (0.37) FFAR1AAK1LPLLIPGDGAT1
SCHEMBL22182200 0.74 CA1 (0.35) FFAR1AAK1LPLLIPGDGAT1
SCHEMBL6314664 0.73 POLB (0.33) CA1CA9
SCHEMBL14956695 0.73 LPL (0.41) EGFRAAK1LPLLIPGCA1
SCHEMBL14962342 0.73 LPL (0.40) AAK1LPLLIPGCA1CA2

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-20100267706-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 US disclosed
US-20100267706-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 US disclosed
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 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 (4 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-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives CFTR, PKD1, PKD2 EGFR 355/4885FFAR1 946/4885AAK1 2312/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 EGFR 260/4885FFAR1 1350/4885AAK1 3604/4885
US-20100267706-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives CFTR, PKD1, PKD2 EGFR 391/4885FFAR1 1473/4885AAK1 2588/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 EGFR 260/4885FFAR1 1350/4885AAK1 3604/4885

“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.