SCHEMBL565303

SCHEMBL565303

C=CCNc1c(O)cccc1C(C)(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP3A4 P08684 1/20 0.37
KCNA5 P22460 1/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
MITF O75030 1/20 0.32
NSD2 O96028 1/20 0.32
LMNA P02545 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL565941 0.90 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL565583 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2GAAESR1
SCHEMBL564566 0.72 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2GAAESR1
SCHEMBL564549 0.72 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2GAAESR1
SCHEMBL565762 0.72 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2GAATDP1
Ethylene SCHEMBL28540957 0.71 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2ESR1ESR2
SCHEMBL11645702 0.71 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2ESR1ESR2
SCHEMBL51085 0.71 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2ESR1ESR2
Benzene SCHEMBL11421230 0.71 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2ESR1ESR2
SCHEMBL9488340 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EESR1ESR2CYP3A4

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 ALDH1A1 204/4885KDM4E 3369/4885SMN1; SMN2 3254/4885

“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.