SCHEMBL5207930

SCHEMBL5207930

Cc1[nH]c2ccccc2c1CCC(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.66
SRC P12931 5/20 0.66
ALDH1A1 P00352 3/20 0.66
HTT P42858 2/20 0.66
TSHR P16473 1/20 0.66
KDM4E B2RXH2 3/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 3/20 0.62
CASP1 P29466 2/20 0.62
CASP7 P55210 2/20 0.62
GAA P10253 1/20 0.62
PABPC1 P11940 1/20 0.58
ALOX15 P16050 1/20 0.58
HTR6 P50406 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
CYP3A4 P08684 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL28687424 0.95 KDM4E (0.67) EGFRSRCALDH1A1HTTTSHR
SCHEMBL4557305 0.87 ALDH1A1 (0.66) EGFRSRCALDH1A1HTTTSHR
SCHEMBL30343681 0.87 ALDH1A1 (0.71) EGFRSRCALDH1A1HTTTSHR
SCHEMBL1740428 0.87 ALDH1A1 (0.71) EGFRSRCALDH1A1HTTTSHR
SCHEMBL30254999 0.85 ALDH1A1 (0.73) EGFRSRCALDH1A1HTTTSHR
SCHEMBL3382621 0.85 ALDH1A1 (0.73) EGFRSRCALDH1A1HTTTSHR
SCHEMBL7127236 0.83 EGFR (0.71) EGFRSRCALDH1A1HTTTSHR
SCHEMBL24505575 0.83 MAPT (0.61) EGFRSRCALDH1A1HTTTSHR
SCHEMBL19557673 0.83 MAPT (0.68) EGFRSRCALDH1A1HTTTSHR
SCHEMBL9153503 0.83 KDM4E (0.69) EGFRSRCALDH1A1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 EGFR 750/4885SRC 4418/4885ALDH1A1 2549/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 EGFR 750/4885SRC 4418/4885ALDH1A1 2549/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 EGFR 1257/4885SRC 4416/4885ALDH1A1 2482/4885

“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.