SCHEMBL369165

SCHEMBL369165

O=C(CC(c1ccc(Br)cc1)C1CCCC1)c1ccc[n+]([O-])c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 4/20 0.39
GPR84 Q9NQS5 2/20 0.39
FFAR1 O14842 1/20 0.37
KDM4C Q9H3R0 1/20 0.34
POLB P06746 3/20 0.34
MAPT P10636 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL368786 0.99 KMT2A (0.39) KMT2AMEN1ALDH1A1GPR84FFAR1
SCHEMBL370833 0.98 KMT2A (0.40) KMT2AMEN1ALDH1A1GPR84FFAR1
SCHEMBL370541 0.83 CNR1 (0.36) KMT2AMEN1ALDH1A1GPR84POLB
SCHEMBL369675 0.79 GPR84 (0.43) KMT2AMEN1ALDH1A1GPR84POLB
SCHEMBL370473 0.74 KMT2A (0.41) KMT2AMEN1ALDH1A1GPR84MAPT
SCHEMBL368660 0.74 KMT2A (0.41) KMT2AMEN1ALDH1A1GPR84MAPT
SCHEMBL369845 0.74 KMT2A (0.41) KMT2AMEN1ALDH1A1GPR84MAPT
SCHEMBL371194 0.74 EPHX2 (0.37) KMT2AMEN1ALDH1A1FFAR1POLB
SCHEMBL370468 0.74 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1FFAR1MAPT
SCHEMBL368223 0.73 KMT2A (0.40) KMT2AMEN1ALDH1A1GPR84MAPT

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 KMT2A 3981/4885MEN1 1315/4885ALDH1A1 132/4885

“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.