SCHEMBL3793773

SCHEMBL3793773

C=C(Br)COC(=O)C1CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL3788162 0.88 MIF (0.39) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3784406 0.85 ATM (0.33) HPGDALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL3792323 0.81 ALDH1A1 (0.50) HPGDALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL3788658 0.81 ALOX15 (0.33) HPGDALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL3786147 0.74 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL2586974 0.71 MAPT (0.46) HPGDALDH1A1MEN1KMT2A
SCHEMBL3780920 0.71 TSHR (0.46) HPGDALDH1A1SMN1; SMN2MEN1CYP3A4
SCHEMBL3784261 0.70 MIF (0.39) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3789494 0.70 ALDH1A1 (0.44) HPGDALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL29024065 0.69 TSHR (0.35)

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

“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.