SCHEMBL363256

SCHEMBL363256

COCNC(=O)CC(c1ccc(Br)cc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 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
SCHEMBL364044 0.76 CYP1A2 (0.42) CYP1A2SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL363257 0.73 MEN1 (0.43) ALDH1A1KDM4ECYP1A2SMN1; SMN2RAB9A
SCHEMBL17892089 0.71 CYP1A2 (0.38) ALDH1A1HPGDCYP1A2SMN1; SMN2MEN1
SCHEMBL28537718 0.69 BLM (0.42) ALDH1A1KDM4ECYP1A2SMN1; SMN2LMNA
SCHEMBL20425505 0.68 CYP1A2 (0.42) ALDH1A1KDM4ECYP1A2SMN1; SMN2MEN1
SCHEMBL4072987 0.68 CYP1A2 (0.42) ALDH1A1KDM4ECYP1A2SMN1; SMN2MEN1
SCHEMBL28215963 0.67 ESR1 (0.44) ALDH1A1CYP1A2RAB9AKMT2ALMNA
SCHEMBL31601400 0.66 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EL3MBTL1CYP1A2
SCHEMBL502093 0.66 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EL3MBTL1CYP1A2
SCHEMBL18501650 0.66 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EL3MBTL1CYP1A2

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 ALDH1A1 132/4885HPGD 602/4885KDM4E 4298/4885

“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.