SCHEMBL13080948

SCHEMBL13080948

C=C1OB(c2ccc(C(F)(F)F)cc2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
KDM1A O60341 1/20 0.31
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
BACE1 P56817 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
SCHEMBL13474635 0.86 LPL (0.38) LPLLIPGF11
SCHEMBL13118388 0.86 KIF11 (0.34) LPLLIPG
SCHEMBL1911716 0.83 LPL (0.30) LPLLIPG
SCHEMBL14792949 0.82 TSHR (0.34) LPLLIPGKDM1A
SCHEMBL14231975 0.81 LPL (0.51) LPLLIPG
SCHEMBL13186080 0.80 LPL (0.34) LPLLIPG
SCHEMBL13509394 0.80 LPL (0.34) LPLLIPG
SCHEMBL2756805 0.80 LPL (0.50) LPLLIPGF2F11PRSS1
SCHEMBL10072089 0.79 NOTUM (0.32)
SCHEMBL12512630 0.78 LPL (0.33) LPLLIPGF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298609-A1 METHOD FOR PREPARING AN AROMATIC BORON REAGENT THROUGH BARBIER-TYPE REACTION TAMKANG UNIVERSITY (TW) 2010-11-25 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 (1 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-20100298609-A1 METHOD FOR PREPARING AN AROMATIC BORON REAGENT THROUGH BARBIER-TYPE REACTION BTD, BRD8, BROX LPL 3996/4885LIPG 4654/4885MAOA 277/4885

“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.