SCHEMBL368448

SCHEMBL368448

O/N=C(/CC(c1ccccc1)c1ccccc1)c1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.76
EPHX2 P34913 1/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ALDH1A1 P00352 3/20 0.41
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLOD1 Q02809 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 4/20 0.40

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
SCHEMBL363952 1.00 GPBAR1 (0.76) GPBAR1EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL368449 1.00 GPBAR1 (0.76) GPBAR1EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL368975 0.91 GPBAR1 (0.70) GPBAR1EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL368974 0.91 GPBAR1 (0.70) GPBAR1EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL368976 0.91 GPBAR1 (0.70) GPBAR1EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL364631 0.87 GPBAR1 (1.00) GPBAR1EPHX2SLC6A3ALDH1A1HPGD
SCHEMBL364630 0.87 GPBAR1 (1.00) GPBAR1EPHX2SLC6A3ALDH1A1HPGD
SCHEMBL369071 0.87 GPBAR1 (0.62) GPBAR1EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL10240827 0.87 GPBAR1 (1.00) GPBAR1EPHX2SLC6A3ALDH1A1HPGD
SCHEMBL10240825 0.87 GPBAR1 (1.00) GPBAR1EPHX2SLC6A3ALDH1A1HPGD

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-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885EPHX2 1909/4885SLC6A2 942/4885

“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.