SCHEMBL3785892

SCHEMBL3785892

C=CCOC(=O)C1CC2OC2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
TSHR P16473 4/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
EPHX2 P34913 1/20 0.31
ERN1 O75460 1/20 0.31
CYP19A1 P11511 1/20 0.30
TP53 P04637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL942869 0.91 KMT2A (0.37) CYP3A4TSHRPOLBMAPK1MAPT
SCHEMBL3794014 0.89 ALDH1A1 (0.34) CYP3A4KMT2AALDH1A1GAAPPM1B
SCHEMBL1060953 0.87 TSHR (0.39) CYP3A4TSHRPOLBMAPK1MAPT
SCHEMBL1326021 0.86 CYP3A4 (0.39) CYP3A4TSHRPOLBMAPK1MAPT
SCHEMBL31310521 0.80 POLB (0.35) CYP3A4TSHRPOLBMAPK1PPM1B
SCHEMBL1326023 0.79 CYP3A4 (0.35) CYP3A4TSHRPOLBMAPK1MAPT
SCHEMBL11180560 0.79 NR2C2 (0.38) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL11704083 0.79 PPM1B (0.36) TSHRPPM1BPTPN1PPP1CCTP53
SCHEMBL11704074 0.79 PPM1B (0.36) TSHRPPM1BPTPN1PPP1CCTP53
SCHEMBL3446900 0.78 TSHR (0.34) CYP3A4TSHRPOLBMAPK1MAPT

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 4623/4885POLB 1588/4885

“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.