SCHEMBL6420089

SCHEMBL6420089

CCOc1ccc(C(=O)N2c3ccccc3C(O)CC2C)cc1OCC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.48
ALOX15 P16050 1/20 0.48
MCL1 Q07820 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6420258 0.95 MCL1 (0.56) PTGDR2ALOX15MCL1LMNAMEN1
SCHEMBL6419441 0.85 MCL1 (0.66) PTGDR2MCL1MEN1KMT2A
SCHEMBL6419439 0.85 MCL1 (0.66) PTGDR2MCL1MEN1KMT2A
SCHEMBL6419445 0.85 MCL1 (0.66) PTGDR2MCL1MEN1KMT2A
SCHEMBL6423949 0.80 KMT2A (0.45) ALOX15MCL1NPSR1LMNAGLA
SCHEMBL6419722 0.79 PTGDR2 (0.68) PTGDR2MEN1KMT2A
SCHEMBL6418944 0.79 MEN1 (0.64) PTGDR2MCL1LMNAMEN1KMT2A
SCHEMBL6979854 0.77 MCL1 (0.55) MCL1LMNA
SCHEMBL6979858 0.77 MCL1 (0.55) MCL1LMNA
SCHEMBL6979856 0.77 MCL1 (0.55) MCL1LMNA

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 3 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

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-20040157850-A1 Novel heterocyclic derivatives APP, BACE1, PSEN1 PTGDR2 1670/4885ALOX15 2848/4885MCL1 3567/4885

“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.