SCHEMBL3786401

SCHEMBL3786401

C=C(Cl)COC(=O)C1CC=CCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
MDM2 Q00987 1/20 0.32
MIF P14174 1/20 0.32
PAX8 Q06710 1/20 0.32
MAPT P10636 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
SCHEMBL3789494 0.91 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL3792323 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL3784406 0.85 ATM (0.33) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL3780197 0.85 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL27916524 0.80 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3784429 0.77 TSHR (0.40) ALDH1A1SMN1; SMN2KMT2ACYP3A4L3MBTL1
SCHEMBL3784261 0.75 MIF (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3788162 0.75 MIF (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL16085912 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL16085913 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ACYP2C19

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 ALDH1A1 747/4885SMN1; SMN2 2870/4885MEN1 637/4885

“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.