SCHEMBL3780168

SCHEMBL3780168

C=C(C)COC(=O)C1CCCC2OC2C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ATM Q13315 1/20 0.33
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX2 P34913 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3789516 0.91 PPM1B (0.36) ALDH1A1PPM1BPTPN1PPP1CCL3MBTL1
SCHEMBL3792975 0.88 PPM1B (0.33) SMN1; SMN2ALDH1A1KMT2AMEN1PPM1B
SCHEMBL3789382 0.87 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1RXFP1
SCHEMBL3785404 0.85 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1KMT2AMEN1RXFP1
SCHEMBL3289307 0.80 ATM (0.35) SMN1; SMN2ALDH1A1KMT2AMEN1RXFP1
SCHEMBL6351424 0.79 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1RXFP1
SCHEMBL3794014 0.79 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1PPM1BPTPN1
SCHEMBL6359904 0.77 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1RXFP1
SCHEMBL3788867 0.77 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1PPM1BPTPN1PPP1CC
SCHEMBL11797007 0.76 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1PPM1BPTPN1PPP1CC

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 3 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

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 SMN1; SMN2 2870/4885ALDH1A1 747/4885KMT2A 2075/4885

“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.