SCHEMBL3784428

SCHEMBL3784428

C=CCOC(=O)C1(C)CC=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TSHR P16473 4/20 0.37
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 4/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
GAA P10253 3/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL472066 0.90 CYP3A4 (0.33) CYP3A4TSHRNPSR1ALDH1A1HSD17B10
SCHEMBL3788158 0.87 CYP3A4 (0.32) CYP3A4TSHRTP53GAARECQL
SCHEMBL7196359 0.86 CYP3A4 (0.42) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL7175708 0.79 CYP3A4 (0.38) CYP3A4TSHRNPSR1ALDH1A1HSD17B10
SCHEMBL472154 0.77 ALDH1A1 (0.30) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL20183945 0.77 CYP3A4 (0.39) CYP3A4TSHRNPSR1ALDH1A1HSD17B10
SCHEMBL29893241 0.77 TSHR (0.34) CYP3A4TSHRTDP1MAPTCACNA1B
SCHEMBL28179914 0.77 CYP3A4 (0.36) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL7759124 0.76 TSHR (0.38) CYP3A4TSHRALDH1A1HSD17B10CA1
SCHEMBL2167134 0.76 CYP3A4 (0.41) CYP3A4TSHRNPSR1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696366-B2 Production process of bifunctional epoxy monomer by selective oxidation of diolefin compound SHOWA DENKO K.K. (JP) 2010-04-13 US disclosed
EP-1891031-B1 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND SHOWA DENKO KK (JP) 2009-03-11 EP disclosed
US-20090030217-A1 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND SHOWA DENKO K.K. (JP) 2009-01-29 US disclosed
EP-1891031-A2 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND Showa Denko K.K. (JP) 2008-02-27 EP disclosed
WO-2006123814-A2 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND SHOWA DENKO K.K. (JP) 2006-11-23 WO 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-20090030217-A1 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND DUOX2, DUOX1, DDT CYP3A4 798/4885TSHR 4623/4885NPSR1 3576/4885

“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.