SCHEMBL4992230

SCHEMBL4992230

CCOc1cc(C(C#N)=Cc2ccc(OC)c(OC)c2)ccc1OC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.52
PDE4B Q07343 5/20 0.52
PDE4C Q08493 5/20 0.52
PDE4D Q08499 5/20 0.52
ALDH1A1 P00352 4/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
PTPN7 P35236 1/20 0.52
PTPN12 Q05209 1/20 0.52
PTPN22 Q9Y2R2 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
RECQL P46063 1/20 0.50
HIF1A Q16665 1/20 0.50
EGFR P00533 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
MEN1 O00255 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL4992218 1.00 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4990088 0.84 MEN1 (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4990101 0.84 MEN1 (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5001677 0.84 PTPN7 (0.54) ALDH1A1HTTPTPN7PTPN12PTPN22
SCHEMBL5001676 0.84 PTPN7 (0.54) ALDH1A1HTTPTPN7PTPN12PTPN22
SCHEMBL5191050 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4996875 0.82 RECQL (0.67) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL4996892 0.82 RECQL (0.67) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL5191708 0.82 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL12507433 0.82 RECQL (0.67) SMN1; SMN2RECQLHIF1AEGFRPDGFRB

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
US-7371773-B2 Breast cancer resistance protein (BCRP) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-13 US claimed
US-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-15 US claimed
EP-1591117-A1 BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2005-11-02 EP claimed
US-7371773-B2 Breast cancer resistance protein (BCRP) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-13 US disclosed
US-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-15 US disclosed
EP-1591117-A1 BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2005-11-02 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-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor ABCC1, OSBP, OSBPL3 PDE4A 4607/4885PDE4B 4797/4885PDE4C 4739/4885

“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.