SCHEMBL932856

SCHEMBL932856

CC1(C2(CCc3ccc(Br)cc3)CO2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.38
TAAR1 Q96RJ0 4/20 0.38
HTR2A P28223 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 1/20 0.37
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
CXCR3 P49682 1/20 0.33
HSD11B1 P28845 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL21509221 0.79 TAAR1 (0.42) HMOX1TAAR1HTR2AOPRM1OPRD1
SCHEMBL6436895 0.75 TAAR1 (0.39) HMOX1TAAR1HTR2AOPRM1OPRD1
SCHEMBL1376365 0.74 TAAR1 (0.45) HMOX1TAAR1HTR2AOPRM1OPRD1
SCHEMBL12126621 0.74 HMOX1 (0.47) HMOX1TAAR1HTR2AOPRM1OPRD1
SCHEMBL13535442 0.72 HMOX1 (0.37) HMOX1TAAR1HTR2AOPRM1OPRD1
SCHEMBL12144581 0.69 KDM1A (0.48) HMOX1TAAR1HTR2AOPRM1OPRD1
SCHEMBL23714748 0.68 TAAR1 (0.39) HMOX1TAAR1HTR2AOPRM1OPRD1
SCHEMBL20512444 0.67 OPRM1 (0.60) HMOX1TAAR1HTR2AOPRM1OPRD1
SCHEMBL589201 0.66 POLB (0.38) HMOX1TAAR1POLBCTDSP1
SCHEMBL626076 0.63 TAAR1 (0.68) TAAR1HTR2APOLBCTDSP1

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 HMOX1 164/4885TAAR1 600/4885HTR2A 4134/4885
US-20110039865-A1 Phenyl(oxy/thio)alkanol Derivatives MYB, ALKBH3, OSBP HMOX1 164/4885TAAR1 600/4885HTR2A 4134/4885

“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.