SCHEMBL3224040

SCHEMBL3224040

c1ccc2c(c1)OCCCOCCCCOCCCOc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
HTT P42858 1/20 0.54
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
DRD1 P21728 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3253257 1.00 SMN1; SMN2 (0.54) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL10987360 0.98 SMN1; SMN2 (0.56) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL3082540 0.92 SMN1; SMN2 (0.50) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL3072591 0.92 SMN1; SMN2 (0.50) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL3077321 0.92 SMN1; SMN2 (0.50) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL12446304 0.91 ITGB2 (0.57) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL8346859 0.86 SMN1; SMN2 (0.71) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL11505174 0.86 SMN1; SMN2 (0.71) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL23658082 0.84 SMN1; SMN2 (0.76) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL30143827 0.84 SMN1; SMN2 (0.76) SMN1; SMN2LMNACRHBPCRHR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100036119-A1 FLUORINATING REAGENTS AND THEIR PREPARATION LANXESS DEUTSCHLAND GMBH (DE) 2010-02-11 US disclosed
US-20050085474-A1 Fluorinating reagents and their preparation LANXESS DEUTSCHLAND GMBH (DE) 2005-04-21 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 (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-20050085474-A1 Fluorinating reagents and their preparation FLNA, ARFGEF1, FLNB SMN1; SMN2 3109/4885LMNA 1526/4885CRHBP 4865/4885
US-20100036119-A1 FLUORINATING REAGENTS AND THEIR PREPARATION FLNA, ARFGEF1, FLNB SMN1; SMN2 3109/4885LMNA 1526/4885CRHBP 4865/4885

“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.