SCHEMBL6420239

SCHEMBL6420239

CCOC(=O)CCCCOc1ccc2c(c1)CCCN2C1CC(C)N(C(=O)c2cccc(OC)c2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6420169 0.92 MCL1 (0.42) PTGDR2SMN1; SMN2TSHRNPSR1LMNA
SCHEMBL6419314 0.92 PTGDR2 (0.48) PTGDR2SMN1; SMN2TSHRMAPTHCRTR1
SCHEMBL6422394 0.91 MEN1 (0.44) SMN1; SMN2TSHRNPSR1LMNAMAPT
SCHEMBL6419409 0.91 PTGDR2 (0.41) PTGDR2SMN1; SMN2TSHRNPSR1LMNA
SCHEMBL6420269 0.89 PTGDR2 (0.43) PTGDR2SMN1; SMN2TSHRNPSR1LMNA
SCHEMBL6420553 0.83 MCL1 (0.45) PTGDR2TSHRLMNAMAPTMEN1
SCHEMBL6420215 0.83 PTGDR2 (0.44) PTGDR2SMN1; SMN2TSHRNPSR1LMNA
SCHEMBL6420251 0.82 MEN1 (0.46) PTGDR2TSHRLMNAMAPTMEN1
SCHEMBL6423531 0.81 MCL1 (0.41) SMN1; SMN2TSHRNPSR1LMNAMAPT
SCHEMBL6420023 0.80 PTGDR2 (0.39) PTGDR2SMN1; SMN2TSHRNPSR1LMNA

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 1670/4885SMN1; SMN2 66/4885TSHR 1945/4885

“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.