SCHEMBL3784406

SCHEMBL3784406

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

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
ALDH1A1 P00352 6/20 0.32
TSHR P16473 1/20 0.32
MDM2 Q00987 1/20 0.32
MIF P14174 1/20 0.32
HPGD P15428 1/20 0.32
PAX8 Q06710 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 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 0.91 MIF (0.39) ALDH1A1MIFMEN1KMT2AMAPT
SCHEMBL3793773 0.85 HPGD (0.33) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL3780197 0.85 SMN1; SMN2 (0.33) ATMALDH1A1TSHRMDM2MIF
SCHEMBL3786401 0.85 ALDH1A1 (0.42) ATMALDH1A1TSHRMDM2MIF
SCHEMBL3784429 0.77 TSHR (0.40) ALDH1A1TSHRMIFKMT2AMAPT
SCHEMBL3789494 0.75 ALDH1A1 (0.44) ALDH1A1MIFHPGDMEN1KMT2A
SCHEMBL3784261 0.75 MIF (0.39) ALDH1A1TSHRMIFMEN1KMT2A
SCHEMBL16085912 0.73 ALDH1A1 (0.49) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL16085913 0.73 ALDH1A1 (0.49) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL29203772 0.70 ALDH1A1 (0.36) ALDH1A1TSHRMAPTSMN1; SMN2

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 ATM 3185/4885ALDH1A1 747/4885TSHR 4623/4885

“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.