SCHEMBL365984

SCHEMBL365984

CCOC(=O)C1CCN(c2ccc([C@@H](CC(=O)c3ccnc(C)c3)c3ccc(Cl)cc3C)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
LGMN Q99538 2/20 0.41
PROKR1 Q8TCW9 1/20 0.40
F10 P00742 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GLA P06280 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
SCHEMBL364126 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTTDP1MEN1
SCHEMBL365008 0.91 PROKR1 (0.42) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL363673 0.91 PROKR1 (0.42) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL364119 0.90 GPBAR1 (0.49) ALDH1A1SMN1; SMN2HTTTDP1MEN1
SCHEMBL15949164 0.87 GPBAR1 (0.48) ALDH1A1SMN1; SMN2HTTTDP1MEN1
SCHEMBL362327 0.86 GPBAR1 (0.53) ALDH1A1TDP1MEN1KMT2ATP53
SCHEMBL1390284 0.83 GPBAR1 (0.51) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL362698 0.83 GPBAR1 (0.51) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL1389686 0.83 GPBAR1 (0.51) MEN1KMT2AMAPTKDM4EHSD17B10
SCHEMBL364374 0.83 GPBAR1 (0.51) MEN1KMT2AMAPTKDM4EHSD17B10

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 132/4885SMN1; SMN2 2264/4885HTT 1564/4885

“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.