SCHEMBL564768

SCHEMBL564768

C=CCNc1ccc(-c2cccc(O)c2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 13/20 0.47
HSD17B2 P37059 13/20 0.47
CYP3A4 P08684 6/20 0.47
CYP2C9 P11712 5/20 0.47
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2B6 P20813 3/20 0.41
CYP2C19 P33261 3/20 0.41
PELI1 Q96FA3 1/20 0.39
APP P05067 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
GABRA1 P14867 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
Ether SCHEMBL564659 0.91 HSD17B1 (0.39) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL565622 0.89 GABRA1 (0.44) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL565445 0.88 HSD17B1 (0.47) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL565092 0.86 ALOX5 (0.46) HSD17B1HSD17B2ESR1ESR2PELI1
SCHEMBL564660 0.84 FFAR4 (0.36) APPGABRA1GABRB2
SCHEMBL9240095 0.82 KDM4E (0.41) CYP3A4OPRM1OPRD1OPRK1
SCHEMBL565803 0.79 GAA (0.37) GABRA1GABRB2
Ether SCHEMBL564674 0.79 MAPT (0.39) GABRA1GABRB2
SCHEMBL564675 0.79 GABRA1 (0.37) APPGABRA1GABRB2
Ether SCHEMBL565802 0.77 ALOX5 (0.38) HSD17B1ESR1ESR2PELI1OPRM1

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 HSD17B1 337/4885HSD17B2 576/4885CYP3A4 360/4885

“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.