SCHEMBL369772

SCHEMBL369772

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.58
PLOD2 O00469 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP2C19 P33261 3/20 0.58
PLOD3 O60568 2/20 0.58
PLOD1 Q02809 2/20 0.58
CYP2C9 P11712 2/20 0.58
HIF1A Q16665 2/20 0.58
HPGD P15428 2/20 0.58
CYP2D6 P10635 2/20 0.58
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
NAPRT Q6XQN6 1/20 0.44
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.40
KIF11 P52732 1/20 0.40
MAPT P10636 1/20 0.39

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 0.77 GPBAR1 (0.44) CYP3A4PLOD2CYP1A2CYP2C19PLOD3
SCHEMBL363699 0.77 GPBAR1 (0.44) CYP3A4PLOD2CYP1A2CYP2C19PLOD3
SCHEMBL11248584 0.77 PLOD2 (0.53) CYP3A4PLOD2CYP1A2CYP2C19PLOD3
SCHEMBL8053052 0.74 PLOD2 (1.00) CYP3A4PLOD2CYP1A2CYP2C19PLOD3
SCHEMBL5571415 0.74 KMT2A (0.54) CYP3A4PLOD2CYP1A2CYP2C19PLOD3
SCHEMBL9195700 0.74 ALDH1A1 (0.77) CYP3A4PLOD2CYP1A2CYP2C19PLOD3
SCHEMBL28490145 0.73 CYP2C19 (0.48) CYP3A4CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL4619588 0.73 CYP2C19 (0.59) CYP3A4CYP1A2CYP2C19CYP2C9HIF1A
SCHEMBL370451 0.73 MIF (0.53) CYP3A4PLOD2CYP1A2CYP2C19PLOD3
SCHEMBL9575287 0.71 KCNA5 (0.61) CYP3A4PLOD2CYP1A2CYP2C19CYP2C9

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 CYP3A4 1258/4885PLOD2 1191/4885CYP1A2 369/4885

“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.