SCHEMBL362994

SCHEMBL362994

CCOC(=O)c1cccc(C(CC(=O)c2ccc(OC)nc2)c2ccc(Cl)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
CTSA P10619 3/20 0.36
PLA2G4A P47712 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ABCB1 P08183 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
GABRA5 P31644 1/20 0.35
P2RX3 P56373 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL362682 0.81 KMT2A (0.44) S1PR1S1PR3MAOBMAOACTSA
SCHEMBL364619 0.81 MGAM (0.39) S1PR1S1PR3MEN1MAPTKMT2A
SCHEMBL1390349 0.80 BAZ2B (0.36) S1PR1S1PR3JMJD6NPC1MEN1
SCHEMBL363804 0.79 MGAM (0.38) S1PR1S1PR3MEN1MAPTKMT2A
SCHEMBL1390485 0.73 KMT2A (0.45) MAOBMAOAPLA2G4AMEN1KMT2A
SCHEMBL362959 0.73 GPR183 (0.39) CTSAMAPTKMT2AGABRA5
SCHEMBL1390583 0.72 GPR183 (0.39) MEN1MAPTHTTKMT2A
SCHEMBL364325 0.71 CTSA (0.41) S1PR3CTSA
SCHEMBL1390333 0.71 CTSA (0.44) CTSAHTT
SCHEMBL1390563 0.71 EPHX2 (0.40) MAOBMAOAMEN1KMT2A

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 5 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 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 S1PR1 461/4885S1PR3 668/4885JMJD6 4348/4885

“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.