SCHEMBL364437

SCHEMBL364437

CCOC(=O)C1CCN(c2ccc(C(C/C(=N\O)c3ccnc(C)c3)c3ccc(F)cc3F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.65
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 5/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
LGMN Q99538 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDK2 Q15119 1/20 0.36

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
SCHEMBL1390414 1.00 GPBAR1 (0.65) GPBAR1ALDH1A1TDP1MAPTTP53
SCHEMBL1389809 0.92 GPBAR1 (0.69) GPBAR1POLBHPGDNPSR1HSD17B10
SCHEMBL1390182 0.92 GPBAR1 (0.69) GPBAR1POLBHPGDNPSR1HSD17B10
SCHEMBL365323 0.92 GPBAR1 (0.69) GPBAR1POLBHPGDNPSR1HSD17B10
SCHEMBL1389810 0.92 GPBAR1 (0.69) GPBAR1POLBHPGDNPSR1HSD17B10
SCHEMBL1389807 0.92 GPBAR1 (0.69) GPBAR1POLBHPGDNPSR1HSD17B10
SCHEMBL363896 0.92 GPBAR1 (0.69) GPBAR1POLBHPGDNPSR1HSD17B10
SCHEMBL1390177 0.92 GPBAR1 (0.69) GPBAR1POLBHPGDNPSR1HSD17B10
SCHEMBL362327 0.92 GPBAR1 (0.53) GPBAR1ALDH1A1TDP1MAPTTP53
SCHEMBL1390448 0.90 GPBAR1 (0.64) GPBAR1ALDH1A1TDP1MAPTTP53

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 GPBAR1 1/4885ALDH1A1 132/4885TDP1 2650/4885

“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.