SCHEMBL1080163

SCHEMBL1080163

CC(C)(C)C(O)(COc1cccc(Br)c1Cl)Cn1cncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 3/20 0.39
HSP90AA1 P07900 2/20 0.39
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL6522972 0.80 ALDH1A1 (0.50) CYP3A4ALDH1A1KDM4EKMT2AHSP90AA1
SCHEMBL10368324 0.78 CYP3A4 (0.50) CYP3A4ALDH1A1KDM4EKMT2AHSP90AA1
SCHEMBL10366188 0.78 ALDH1A1 (0.58) CYP3A4ALDH1A1KMT2AHSP90AA1MEN1
SCHEMBL950886 0.77 ALDH1A1 (0.50) CYP3A4ALDH1A1KDM4EKMT2AHSP90AA1
SCHEMBL269849 0.77 ALDH1A1 (0.66) CYP3A4ALDH1A1KDM4EKMT2AHSP90AA1
SCHEMBL9634196 0.77 ALDH1A1 (0.57) CYP3A4ALDH1A1KDM4EKMT2AHSP90AA1
SCHEMBL10361043 0.77 HSP90AA1 (0.52) CYP3A4ALDH1A1KDM4EKMT2AHSP90AA1
SCHEMBL10512984 0.74 ALDH1A1 (0.59) CYP3A4ALDH1A1KDM4EKMT2AHSP90AA1
SCHEMBL10937463 0.74 ALDH1A1 (0.45) CYP3A4ALDH1A1KDM4EKMT2AHSP90AA1
SCHEMBL10626784 0.74 ALDH1A1 (0.45) CYP3A4ALDH1A1KDM4EKMT2AHSP90AA1

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
US-20150376147-A1 Substituted Phenyl(Oxy/Thio)Alkanol Derivatives BAYER IP GMBH (DE) 2015-12-31 US claimed
EP-2451785-A2 SUBSTITUTED PHENYL(OXY/THIO)ALKANOL DERIVATIVES Bayer CropScience AG (DE) 2012-05-16 EP claimed
US-20110059990-A1 Substituted Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2011-03-10 US claimed
WO-2011003528-A2 SUBSTITUTED PHENYL(OXY/THIO)ALKANOL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2011-01-13 WO 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 CYP3A4 1293/4885ALDH1A1 2074/4885KDM4E 930/4885
US-20150376147-A1 Substituted Phenyl(Oxy/Thio)Alkanol Derivatives MYB, TH, ALKBH3 CYP3A4 1293/4885ALDH1A1 2074/4885KDM4E 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.