SCHEMBL934362

SCHEMBL934362

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.48
AR P10275 1/20 0.47
MAOB P27338 1/20 0.46
TSHR P16473 1/20 0.44

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
SCHEMBL8247256 0.83 MAPT (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL12622681 0.83 LMNA (0.53) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL10931456 0.83 MAPK1 (0.59) ALDH1A1SMN1; SMN2AR
SCHEMBL507298 0.82 AR (0.45) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8624905 0.81 PTGS2 (0.51) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL12622683 0.81 SMN1; SMN2 (0.71) ALDH1A1MEN1KMT2ASMN1; SMN2POLB
SCHEMBL11169076 0.81 MAPT (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL421801 0.81 ALOX15 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7708595 0.80 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MAPTAR
SCHEMBL7702919 0.80 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MAPTAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2451784-A1 PHENYL(OXY/THIO)ALKANOL DERIVATIVES Bayer CropScience AG (DE) 2012-05-16 EP disclosed
US-20110039865-A1 Phenyl(oxy/thio)alkanol Derivatives BAYER CROPSCIENCE AG (DE) 2011-02-17 US disclosed
WO-2011003527-A1 PHENYL(OXY/THIO)ALKANOL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-01-13 WO 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 1776/4885MEN1 4876/4885KMT2A 2176/4885
US-20110039865-A1 Phenyl(oxy/thio)alkanol Derivatives MYB, ALKBH3, OSBP ALDH1A1 1776/4885MEN1 4876/4885KMT2A 2176/4885

“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.