SCHEMBL6522972

SCHEMBL6522972

CC(C)(C)C(O)(COc1ccc(Br)cc1Cl)Cn1cncn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
HSP90AA1 P07900 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10366188 0.89 ALDH1A1 (0.58) ALDH1A1CYP3A4LMNAPKMTDP1
SCHEMBL10368324 0.87 CYP3A4 (0.50) ALDH1A1CYP3A4KDM4ELMNAMAPK1
SCHEMBL950886 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4KDM4ELMNAKMT2A
SCHEMBL9634196 0.81 ALDH1A1 (0.57) ALDH1A1CYP3A4KDM4ELMNAMAPK1
SCHEMBL1080163 0.80 CYP3A4 (0.50) ALDH1A1CYP3A4KDM4ELMNAMAPK1
SCHEMBL10631803 0.79 CYP3A4 (0.48) ALDH1A1CYP3A4LMNAPKMTDP1
SCHEMBL10634281 0.79 CYP3A4 (0.48) ALDH1A1CYP3A4LMNAPKMTDP1
SCHEMBL10512984 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4KDM4ELMNAKMT2A
SCHEMBL10392892 0.78 ALDH1A1 (0.61) ALDH1A1CYP3A4KDM4ELMNAPKM
SCHEMBL10628607 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4KDM4ELMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376147-A1 Substituted Phenyl(Oxy/Thio)Alkanol Derivatives BAYER IP GMBH (DE) 2015-12-31 US claimed
US-20110059990-A1 Substituted Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2011-03-10 US claimed
US-20150376147-A1 Substituted Phenyl(Oxy/Thio)Alkanol Derivatives BAYER IP GMBH (DE) 2015-12-31 US disclosed
US-9187431-B2 Substituted phenyl(oxy/thio)alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20110059990-A1 Substituted Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2011-03-10 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 (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-20110059990-A1 Substituted Phenyl(oxy/thio)alkanol Derivatives MYB, TH, ALKBH3 ALDH1A1 2074/4885CYP3A4 1293/4885KDM4E 930/4885
US-20150376147-A1 Substituted Phenyl(Oxy/Thio)Alkanol Derivatives MYB, TH, ALKBH3 ALDH1A1 2074/4885CYP3A4 1293/4885KDM4E 930/4885

“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.