SCHEMBL5549984

SCHEMBL5549984

CN(CCCCC(=O)O)c1ccc(Br)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
ERN1 O75460 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
KMO O15229 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
APEX1 P27695 1/20 0.33

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
SCHEMBL5551206 0.99 PTGDR2 (0.44) PTGDR2ERN1ALDH1A1KDM4ETDP1
SCHEMBL7541400 0.96 PTGDR2 (0.46) PTGDR2ERN1ALDH1A1KDM4ETDP1
SCHEMBL3458716 0.85 ALDH1A1 (0.45) PTGDR2ERN1ALDH1A1KDM4ETDP1
SCHEMBL3157614 0.83 PTGDR2 (0.40) PTGDR2ERN1ALDH1A1KDM4ETDP1
SCHEMBL7543969 0.83 EGFR (0.41) PTGDR2ERN1ALDH1A1KDM4EKMT2A
SCHEMBL7684624 0.81 PTGDR2 (0.45) PTGDR2ERN1ALDH1A1KDM4ETDP1
SCHEMBL7541512 0.81 PTGDR2 (0.42) PTGDR2ERN1ALDH1A1KDM4ETDP1
SCHEMBL7541385 0.81 ALDH1A1 (0.44) PTGDR2ERN1ALDH1A1KDM4ELMNA
SCHEMBL6343551 0.81 PTGDR2 (0.42) PTGDR2ERN1ALDH1A1KDM4ETDP1
SCHEMBL6350449 0.81 ALDH3A1 (0.46) PTGDR2ERN1ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1760054-A2 Process for producing cyclic compound Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-7038042-B2 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-02 US disclosed
US-20050096475-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-05 US disclosed
US-6864367-B2 Process for producing cyclic compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-08 US disclosed
US-20030040632-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-02-27 US disclosed
EP-1266881-A1 PROCESS FOR PRODUCING CYCLIC COMPOUND Takeda Chemical Industries, Ltd. (JP) 2002-12-18 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-20030040632-A1 Process for producing cyclic compound CTH, DOHH, SLC39A11 PTGDR2 1603/4885ERN1 1964/4885ALDH1A1 3207/4885
US-20050096475-A1 Process for producing cyclic compound SLC39A11, CYP4F11, WEE1 PTGDR2 1392/4885ERN1 1514/4885ALDH1A1 3392/4885

“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.