SCHEMBL1389809

SCHEMBL1389809

Cc1cc(/C(CC(c2ccc(N3CCC(C(=O)O)CC3)cc2)c2ccc(F)cc2F)=N\O)ccn1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.69
NOTUM Q6P988 1/20 0.37
GPR6 P46095 5/20 0.34
F10 P00742 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MC1R Q01726 1/20 0.33
POLB P06746 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
SCHEMBL363896 1.00 GPBAR1 (0.69) GPBAR1NOTUMGPR6F10FFAR4
SCHEMBL1389810 1.00 GPBAR1 (0.69) GPBAR1NOTUMGPR6F10FFAR4
SCHEMBL365323 1.00 GPBAR1 (0.69) GPBAR1NOTUMGPR6F10FFAR4
SCHEMBL1390182 1.00 GPBAR1 (0.69) GPBAR1NOTUMGPR6F10FFAR4
SCHEMBL1389807 1.00 GPBAR1 (0.69) GPBAR1NOTUMGPR6F10FFAR4
SCHEMBL1390177 1.00 GPBAR1 (0.69) GPBAR1NOTUMGPR6F10FFAR4
SCHEMBL1390414 0.92 GPBAR1 (0.65) GPBAR1KDM4EHPGDNPSR1HSD17B10
SCHEMBL364437 0.92 GPBAR1 (0.65) GPBAR1KDM4EHPGDNPSR1HSD17B10
SCHEMBL1390617 0.91 GPBAR1 (0.65) GPBAR1FFAR4
SCHEMBL15949197 0.91 GPBAR1 (0.65) GPBAR1GPR6F10

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 4 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 claimed
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
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 1/4885NOTUM 3796/4885GPR6 129/4885

“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.