SCHEMBL3788658

SCHEMBL3788658

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.30
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
SCHEMBL3784261 0.88 MIF (0.39) ALOX15TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL3780197 0.85 SMN1; SMN2 (0.33) ALOX15TSHRMAPK1HPGDALDH1A1
SCHEMBL10325880 0.82 MAPT (0.41) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3793773 0.81 HPGD (0.33) HPGDALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL3792323 0.81 ALDH1A1 (0.50) HPGDALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL6351424 0.78 ALDH1A1 (0.44) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6359904 0.77 ALDH1A1 (0.46) TSHRHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL5685897 0.75 ALDH1A1 (0.36) MAPK1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2586974 0.75 MAPT (0.46) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL3792975 0.74 PPM1B (0.33) ALDH1A1SMN1; SMN2MEN1KMT2A

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 ALOX15 424/4885TSHR 4623/4885MAPK1 1292/4885

“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.