SCHEMBL3789382

SCHEMBL3789382

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 2/20 0.32
PAX8 Q06710 1/20 0.32
MAPT P10636 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 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
SCHEMBL3788867 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDL3MBTL1MAPT
SCHEMBL3793851 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPT
SCHEMBL3780168 0.87 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2ATML3MBTL1POLB
SCHEMBL3785404 0.87 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2HPGDATML3MBTL1
SCHEMBL27916524 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDATML3MBTL1
SCHEMBL3794014 0.80 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1
SCHEMBL3785216 0.77 PPM1B (0.33) L3MBTL1
SCHEMBL15707668 0.77 TP53 (0.33) ALDH1A1KMT2AMEN1
SCHEMBL3789516 0.77 PPM1B (0.36) ALDH1A1L3MBTL1MAPT
SCHEMBL15707638 0.76 PPM1B (0.40) ALDH1A1SMN1; SMN2ATMKMT2AMEN1

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 ALDH1A1 747/4885SMN1; SMN2 2870/4885HPGD 67/4885

“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.