SCHEMBL3789494

SCHEMBL3789494

C=C(Cl)COC(=O)C1CC=CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MIF P14174 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 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
SCHEMBL3786401 0.91 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MIFMEN1KMT2A
SCHEMBL3792323 0.88 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL3788162 0.84 MIF (0.39) ALDH1A1SMN1; SMN2MIFMEN1KMT2A
SCHEMBL3784261 0.84 MIF (0.39) ALDH1A1SMN1; SMN2MIFMEN1KMT2A
SCHEMBL11835168 0.79 MIF (0.44) ALDH1A1SMN1; SMN2MIFMEN1KMT2A
SCHEMBL17862134 0.79 MIF (0.44) ALDH1A1SMN1; SMN2MIFMEN1KMT2A
SCHEMBL29084231 0.76 MAPT (0.44) ALDH1A1MIFMEN1KMT2AMAPT
SCHEMBL25648750 0.76 MAPT (0.44) ALDH1A1MIFMEN1KMT2AMAPT
SCHEMBL472121 0.76 MAPT (0.44) ALDH1A1MIFMEN1KMT2AMAPT
SCHEMBL27916524 0.75 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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 2870/4885MIF 1324/4885

“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.