SCHEMBL21764294

SCHEMBL21764294

C=C[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC(=O)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
CTNNB1 P35222 6/20 0.37
WNT3A P56704 6/20 0.37
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KIF11 P52732 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
KAT6A Q92794 1/20 0.32

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
SCHEMBL11027048 1.00 PTPN1 (0.38) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL11027709 0.92 CES2 (0.35) PTPN1ERCC5FEN1CTNNB1WNT3A
SCHEMBL20096960 0.87 TK1 (0.33) CASP3SENP7SENP6KMT2AMEN1
SCHEMBL20096959 0.87 TK1 (0.33) CASP3SENP7SENP6KMT2AMEN1
SCHEMBL19877975 0.87 PTGDR2 (0.32) ALDH1A1KMT2AMEN1
SCHEMBL18011776 0.87 PTGDR2 (0.32) ALDH1A1KMT2AMEN1
SCHEMBL11890492 0.86 KIF11 (0.33) KIF11
SCHEMBL21764442 0.84 KIF11 (0.31) KIF11
SCHEMBL14878499 0.84 KIF11 (0.31) KIF11
SCHEMBL20875702 0.82 TSHR (0.36) CASP3SENP7SENP6ALDH1A1HTT

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-20200062773-A1 4,4a,5,7-TETRAHYDRO-3H-FURO[3,4-b]PYRIDINYL COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 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-20200062773-A1 4,4a,5,7-TETRAHYDRO-3H-FURO[3,4-b]PYRIDINYL COMPOUNDS BACE1, APP, PSEN1 PTPN1 3679/4885ERCC5 2020/4885FEN1 663/4885

“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.