SCHEMBL6419445

SCHEMBL6419445

COc1ccc(C(=O)N2c3ccccc3C(O)CC2C)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.66
TSHR P16473 1/20 0.52
PTGDR2 Q9Y5Y4 9/20 0.51
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL6419441 1.00 MCL1 (0.66) MCL1TSHRPTGDR2BCHEACHE
SCHEMBL6419439 1.00 MCL1 (0.66) MCL1TSHRPTGDR2BCHEACHE
SCHEMBL6420258 0.92 MCL1 (0.56) MCL1TSHRPTGDR2MEN1KMT2A
SCHEMBL6418944 0.88 MEN1 (0.64) MCL1PTGDR2MEN1KMT2A
SCHEMBL6979856 0.86 MCL1 (0.55) MCL1TSHRBCHEACHEPDE4A
SCHEMBL6979854 0.86 MCL1 (0.55) MCL1TSHRBCHEACHEPDE4A
SCHEMBL6979858 0.86 MCL1 (0.55) MCL1TSHRBCHEACHEPDE4A
SCHEMBL6420089 0.85 PTGDR2 (0.48) MCL1PTGDR2MEN1KMT2A
SCHEMBL6970628 0.84 PTGDR2 (0.60) MCL1PTGDR2MEN1KMT2A
SCHEMBL6970631 0.84 PTGDR2 (0.60) MCL1PTGDR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930104-B2 Heterocyclic derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040157850-A1 Novel heterocyclic derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1382598-A1 NOVEL HETEROCYCLIC DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2004-01-21 EP disclosed
US-20030216398-A1 Soluble beta amyloid precursor protein secretion promoters TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-11-20 US disclosed
EP-1283055-A1 SOLUBLE BETA AMYLOID PRECURSOR PROTEIN SECRETION PROMOTERS Takeda Chemical Industries, Ltd. (JP) 2003-02-12 EP 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-20030216398-A1 Soluble beta amyloid precursor protein secretion promoters APP, BDNF, BACE1 MCL1 1131/4885TSHR 2924/4885PTGDR2 1502/4885
US-20040157850-A1 Novel heterocyclic derivatives APP, BACE1, PSEN1 MCL1 3567/4885TSHR 1945/4885PTGDR2 1670/4885

“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.