SCHEMBL4599080

SCHEMBL4599080

COC(=O)c1ccc(-c2ccc(OC)c(C=O)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.72
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL31084750 0.87 ERN1 (0.58) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL310021 0.87 ERN1 (0.58) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL4600083 0.86 ERN1 (0.56) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL4599581 0.85 ERN1 (0.72) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL12767776 0.84 ERN1 (1.00) ERN1
SCHEMBL2806958 0.83 ERN1 (0.73) ERN1ALDH1A1
SCHEMBL12767865 0.83 ERN1 (1.00) ERN1ALDH1A1
SCHEMBL24515546 0.82 ERN1 (0.54) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL8569127 0.82 MAPT (0.67) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL19792588 0.81 ERN1 (0.71) ERN1MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 WO 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ERN1 4124/4885MAPT 4514/4885ALDH1A1 915/4885

“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.