SCHEMBL565208

SCHEMBL565208

CC(C)(c1ccccc1)c1cccc(N)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.47
ESR2 Q92731 5/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 2/20 0.47
CA2 P00918 1/20 0.42
MMP2 P08253 1/20 0.40
CNR1 P21554 4/20 0.37
CNR2 P34972 4/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
AR P10275 1/20 0.34
HPGD P15428 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL564371 0.86 CA2 (0.50) ESR1ESR2ALDH1A1CYP3A4CA2
SCHEMBL1276539 0.86 CA2 (0.56) ESR1ESR2ALDH1A1CYP3A4CA2
SCHEMBL3751989 0.82 CYP3A4 (0.45) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL4409081 0.81 CYP3A4 (0.41) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL30606647 0.81 CYP3A4 (0.41) ESR1ESR2ALDH1A1CYP3A4CNR1
SCHEMBL9488340 0.81 ALDH1A1 (0.50) ESR1ESR2ALDH1A1CYP3A4CA2
SCHEMBL442352 0.81 CA2 (0.68) ESR1ESR2ALDH1A1CYP3A4CA2
Bromide SCHEMBL7776359 0.80 CYP3A4 (0.43) ESR1ESR2ALDH1A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL3291595 0.80 CYP3A4 (0.43) ESR1ESR2ALDH1A1CYP3A4MAPT
SCHEMBL10550628 0.79 GABRA1 (0.62) ESR1ESR2ALDH1A1CYP3A4CA2

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 1253/4885ALDH1A1 204/4885

“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.