SCHEMBL13775729

SCHEMBL13775729

COC(=O)/C=C/c1cccn1-c1ccc(Cl)cc1C(O)c1c(F)ccc(OC)c1OC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.35
GPX4 P36969 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
JAK2 O60674 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 1/20 0.33
MCL1 Q07820 1/20 0.33
TUBB1 Q9H4B7 2/20 0.33
MMP1 P03956 1/20 0.33
CXCL12 P48061 1/20 0.32

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
SCHEMBL4113571 0.92 KDM4E (0.34) ALDH1A1KDM4EMAPTSMN1; SMN2MCL1
SCHEMBL4113581 0.92 KDM4E (0.34) ALDH1A1KDM4EMAPTSMN1; SMN2MCL1
SCHEMBL13775240 0.87 FDFT1 (0.39) NR1H4ALDH1A1KDM4EGAAMAPT
SCHEMBL13775454 0.86 KDM4E (0.34) NR1H4ALDH1A1KDM4EMAPTHTT
SCHEMBL13775445 0.86 GAA (0.40) NR1H4GPX4ALDH1A1KDM4EJAK2
SCHEMBL13775457 0.85 NR1H4 (0.36) NR1H4GPX4ALDH1A1KDM4EGAA
SCHEMBL13775447 0.84 NR1H4 (0.33) NR1H4KDM4EMMP1
SCHEMBL4123855 0.82 FDFT1 (0.37) NR1H4ALDH1A1KDM4EMAPT
SCHEMBL4123861 0.82 FDFT1 (0.37) NR1H4ALDH1A1KDM4EMAPT
SCHEMBL13775726 0.80 KRAS (0.37) NR1H4GPX4ALDH1A1KDM4EJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR NR1H4 179/4885GPX4 2456/4885ALDH1A1 1587/4885

“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.