SCHEMBL472154

SCHEMBL472154

C=CCOCCOC(=O)C1(C)CC=CCC1

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.30
TSHR P16473 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SLC22A1 O15245 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
THRB P10828 1/20 0.30
CHRM1 P11229 1/20 0.30
PRCP P42785 1/20 0.30
HTT P42858 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL472066 0.87 CYP3A4 (0.33) ALDH1A1TSHRTP53HSD17B10KDM4E
SCHEMBL3788158 0.79 CYP3A4 (0.32) TSHRTP53CYP3A4
SCHEMBL3784428 0.77 CYP3A4 (0.39) ALDH1A1TSHRTP53HSD17B10KDM4E
SCHEMBL472143 0.75 BRD4 (0.39) KDM4ESLC22A1
SCHEMBL14713396 0.74 ALDH1A1 (0.33) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL17616814 0.71 SCN9A (0.34)
SCHEMBL472139 0.69 NPSR1 (0.34) LMNACYP3A4
SCHEMBL7196359 0.69 CYP3A4 (0.42) ALDH1A1TSHRTP53HSD17B10KDM4E
SCHEMBL2608201 0.66 TDP1 (0.46) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL141388 0.65 ALDH1A1 (0.56) ALDH1A1TSHRTP53HIF1AHSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664414-B2 Process for producing epoxy compound SHOWA DENKO K.K. (JP) 2014-03-04 US disclosed
US-8466303-B2 Process for production of epoxy compound SHOWA DENKO K.K. (JP) 2013-06-18 US disclosed
US-20120029217-A1 PROCESS FOR PRODUCING EPOXY COMPOUND SHOWA DENKO K.K. (JP) 2012-02-02 US disclosed
EP-2412712-A1 METHOD FOR PRODUCING EPOXY COMPOUND Showa Denko K.K. (JP) 2012-02-01 EP disclosed
US-20110009652-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND SHOWA DENKO KK (JP) 2011-01-13 US disclosed
EP-2261219-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND Showa Denko K.K. (JP) 2010-12-15 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 (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-20120029217-A1 PROCESS FOR PRODUCING EPOXY COMPOUND NOX4, NOX5, NOXO1 ALDH1A1 1104/4885TSHR 4657/4885TP53 4650/4885
US-20110009652-A1 PROCESS FOR PRODUCTION OF EPOXY COMPOUND DUOX2, EPX, DUOX1 ALDH1A1 680/4885TSHR 4326/4885TP53 4815/4885

“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.