SCHEMBL363699

SCHEMBL363699

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.44
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
HIF1A Q16665 2/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 2/20 0.39
HPGD P15428 2/20 0.39
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
PLOD1 Q02809 1/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KCNA5 P22460 1/20 0.37
HSP90AA1 P07900 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL364069 1.00 GPBAR1 (0.44) GPBAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL369979 1.00 GPBAR1 (0.44) GPBAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15958985 0.79 GPBAR1 (0.40) GPBAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL369772 0.77 CYP3A4 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL9321480 0.73 GAA (0.50) GPBAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9321485 0.73 GAA (0.50) GPBAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL368449 0.70 GPBAR1 (0.76) GPBAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL368448 0.70 GPBAR1 (0.76) GPBAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL363952 0.70 GPBAR1 (0.76) GPBAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9324776 0.69 KDM4E (0.46) GPBAR1CYP1A2CYP3A4CYP2C9CYP2C19

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 13 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-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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
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
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US 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 1/4885CYP1A2 369/4885CYP3A4 1258/4885

“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.