SCHEMBL10329385

SCHEMBL10329385

CC1(COc2ccc(C=O)cc2)COC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CYP2A6 P11509 1/20 0.43
PARP1 P09874 1/20 0.43
ALDH1A3 P47895 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA1H O95180 2/20 0.38
CACNA1G O43497 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
FLT3 P36888 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL9935890 0.86 ACACB (0.50) ACACBPARP1SLC5A1SLC5A2CACNA1H
SCHEMBL24390647 0.86 FLT3 (0.50) ACACBMAPTKDM4EFLT3
SCHEMBL15268100 0.86 ALDH1A1 (0.48) ACACBALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL16838854 0.85 HPGD (0.52) ACACBALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3753661 0.84 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL19105138 0.84 CHRNB2 (0.43) ACACBALDH1A1HPGDPARP1SLC5A1
SCHEMBL12170819 0.82 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL13704111 0.81 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL28371415 0.81 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL1299701 0.81 HPGD (0.63) ACACBALDH1A1HPGDSMN1; SMN2LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298753-B1 Novel oxetane compound, active energy ray-curable composition, active energy ray-curable ink composition and inkjet recording method FUJIFILM CORP (JP) 2015-07-08 EP disclosed
US-8222436-B2 Oxetane compound, active energy ray-curable composition, active energy ray-curable ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-07-17 US disclosed
US-8222436-B2 Oxetane compound, active energy ray-curable composition, active energy ray-curable ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-07-17 US disclosed
EP-2298753-A1 Novel oxetane compound, active energy ray-curable composition, active energy ray-curable ink composition and inkjet recording method Fujifilm Corporation (JP) 2011-03-23 EP disclosed
US-20110052831-A1 NOVEL OXETANE COMPOUND, ACTIVE ENERGY RAY-CURABLE COMPOSITION, ACTIVE ENERGY RAY-CURABLE INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110052831-A1 NOVEL OXETANE COMPOUND, ACTIVE ENERGY RAY-CURABLE COMPOSITION, ACTIVE ENERGY RAY-CURABLE INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2011-03-03 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-20110052831-A1 NOVEL OXETANE COMPOUND, ACTIVE ENERGY RAY-CURABLE COMPOSITION, ACTIVE ENERGY RAY-CURABLE INK COMPOSITION AND INKJET RECORDING METHOD OXER1, NOX1, NOX4 ACACB 2666/4885ALDH1A1 276/4885HPGD 832/4885

“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.