SCHEMBL950886

SCHEMBL950886

CC(C)(C)C(O)(COc1ccc(Br)cc1)Cn1cncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSP90AA1 P07900 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL10469561 0.89 ALDH1A1 (0.51) ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL269849 0.88 ALDH1A1 (0.66) ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL12870569 0.88 ALDH1A1 (0.50) ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL10361043 0.87 HSP90AA1 (0.52) ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL10545905 0.85 MAPT (0.58) ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL10747186 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL10746775 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL10746965 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL10512984 0.82 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPTSMN1; SMN2HSP90AA1
SCHEMBL6522972 0.82 ALDH1A1 (0.50) ALDH1A1CYP3A4SMN1; SMN2HSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051277-B2 Phenyl(oxy/thio)alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US claimed
US-20140357649-A1 Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2014-12-04 US claimed
EP-2451784-A1 PHENYL(OXY/THIO)ALKANOL DERIVATIVES Bayer CropScience AG (DE) 2012-05-16 EP claimed
US-20110039865-A1 Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 US claimed
WO-2011003527-A1 PHENYL(OXY/THIO)ALKANOL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-01-13 WO claimed
US-9321732-B2 Phenyl(oxy/thio)alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-26 US disclosed
US-9051277-B2 Phenyl(oxy/thio)alkanol derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20140357649-A1 Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2014-12-04 US disclosed
US-20110039865-A1 Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 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-20140357649-A1 Phenyl(oxy/thio)alkanol Derivatives MYB, ALKBH3, OSBP ALDH1A1 1776/4885CYP3A4 1208/4885MAPT 814/4885
US-20110039865-A1 Phenyl(oxy/thio)alkanol Derivatives MYB, ALKBH3, OSBP ALDH1A1 1776/4885CYP3A4 1208/4885MAPT 814/4885

“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.