SCHEMBL564555

SCHEMBL564555

CC(C)(c1cccc(N)c1)c1ccc(N)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.50
ESR2 Q92731 3/20 0.50
CNR1 P21554 5/20 0.44
CNR2 P34972 5/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.42
RECQL P46063 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 4/20 0.40
KLF10 Q13118 1/20 0.40
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL565076 0.87 ESR1 (0.56) ESR1ESR2CNR1CNR2TSHR
SCHEMBL29397448 0.87 ESR1 (0.56) ESR1ESR2CNR1CNR2TSHR
SCHEMBL29412591 0.87 ESR1 (0.56) ESR1ESR2CNR1CNR2TSHR
SCHEMBL565236 0.86 ALDH1A1 (0.59) ESR1ESR2CNR1CNR2TSHR
SCHEMBL564539 0.86 ESR1 (0.55) ESR1ESR2CNR1CNR2TSHR
SCHEMBL565312 0.86 ESR1 (0.57) ESR1ESR2CNR1CNR2TSHR
SCHEMBL18566946 0.85 ALDH1A1 (0.58) ESR1ESR2CNR1CNR2ALDH1A1
SCHEMBL27153315 0.84 TSHR (0.48) ESR1ESR2CNR1CNR2TSHR
SCHEMBL564979 0.84 ESR1 (0.48) ESR1ESR2CNR1CNR2TSHR
SCHEMBL126640 0.83 ESR1 (0.57) ESR1ESR2CNR1CNR2TSHR

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-8674029-B2 Method of preparing stabilized polymeric systems using polymeric peroxides Sunocs LLC (US) 2014-03-18 US disclosed
US-20120035307-A1 PROCESS FOR MAKING STABLIZED POLYMERIC SYSTEMS WITH NANOSTRUCTURES SONG CHENGQIAN (US) 2012-02-09 US disclosed
US-20120035315-A1 METHOD OF PREPARING STABLIZED POLYMERIC SYSTEMS USING POLYMERIC PEROXIDES SONG CHENGQIAN (US) 2012-02-09 US disclosed
US-7498467-B2 Antioxidant and bisaminophenol derivative IDEMITSU KOSAN CO., LTD. (JP) 2009-03-03 US disclosed
US-20080161608-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2008-07-03 US disclosed
US-20060208227-A1 Antioxidant and bisaminophenol derivative IDEMITSU LOSAN CO., LTD (JP) 2006-09-21 US disclosed
EP-1612254-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 2006-01-04 EP 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 (1 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-20080161608-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE CBR1, CBR3, HMOX1 ESR1 1065/4885ESR2 1253/4885CNR1 574/4885

“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.