SCHEMBL6103170

SCHEMBL6103170

COc1cc(OC)cc(C(=O)c2cccc3ccccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 4/20 0.57
CNR2 P34972 3/20 0.54
CNR1 P21554 1/20 0.54
FFAR4 Q5NUL3 1/20 0.53
GPR139 Q6DWJ6 1/20 0.53
GCGR P47871 1/20 0.53
MTNR1A P48039 1/20 0.51
BCL2 P10415 1/20 0.51
MCL1 Q07820 1/20 0.51
BAD Q92934 1/20 0.51
PLK1 P53350 1/20 0.50
TUBB1 Q9H4B7 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 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
SCHEMBL9856912 0.86 GCGR (0.67) CDC25BCNR2CNR1GCGRMTNR1A
SCHEMBL13045498 0.83 CDC25B (0.63) CDC25BCNR2CNR1BCL2MCL1
SCHEMBL6103129 0.82 TUBB4A (0.64) TUBB1MEN1KMT2AALDH1A1
SCHEMBL12551374 0.81 CDC25B (0.61) CDC25BCNR2CNR1BCL2MCL1
SCHEMBL5077492 0.79 ALDH1A1 (0.61) CNR2CNR1BCL2MCL1BAD
SCHEMBL4820599 0.79 STS (0.56) TUBB1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9856895 0.77 CDC25B (0.56) CDC25BCNR2CNR1GCGRBCL2
SCHEMBL28054021 0.77 CDC25B (0.53) CDC25BCNR2CNR1GCGRBCL2
SCHEMBL547632 0.76 CDC25B (0.69) CDC25BCNR2CNR1GCGRBCL2
SCHEMBL29522736 0.76 CDC25B (0.69) CDC25BCNR2CNR1GCGRBCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052463-A1 PROCESS FOR REGIOSELECTIVE DEMETHYLATION OF P-METHOXY GROUP IN PHENOLIC ESTER AND DIARYL KETONE MOIETIES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-03-09 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-20060052463-A1 PROCESS FOR REGIOSELECTIVE DEMETHYLATION OF P-METHOXY GROUP IN PHENOLIC ESTER AND DIARYL KETONE MOIETIES KDM4A, CYP4A11, CYP51A1 CDC25B 2345/4885CNR2 2742/4885CNR1 2480/4885

“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.