SCHEMBL1389996

SCHEMBL1389996

Cn1cc(/C(CC(c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccc(F)cc2F)=N/O)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.45
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
CREBBP Q92793 1/20 0.34
FFAR1 O14842 3/20 0.32
PPARG P37231 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD4 O60885 2/20 0.32
MAPK14 Q16539 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MAP4K4 O95819 1/20 0.31

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
SCHEMBL1390000 1.00 GPBAR1 (0.45) GPBAR1BCL2L1BADCREBBPFFAR1
SCHEMBL1390240 0.92 GPBAR1 (0.47) GPBAR1CREBBPFFAR1RXRARXRB
SCHEMBL1389743 0.92 GPBAR1 (0.51) GPBAR1BCL2L1BADCREBBPFFAR1
SCHEMBL1389744 0.92 GPBAR1 (0.51) GPBAR1BCL2L1BADCREBBPFFAR1
SCHEMBL1390242 0.92 GPBAR1 (0.47) GPBAR1CREBBPFFAR1RXRARXRB
SCHEMBL1389738 0.92 GPBAR1 (0.51) GPBAR1BCL2L1BADCREBBPFFAR1
SCHEMBL1390243 0.92 GPBAR1 (0.47) GPBAR1CREBBPFFAR1RXRARXRB
SCHEMBL1390434 0.91 GPBAR1 (0.44) GPBAR1BCL2L1BADCREBBPFFAR1
SCHEMBL1390433 0.91 GPBAR1 (0.44) GPBAR1BCL2L1BADCREBBPFFAR1
SCHEMBL370021 0.91 GPBAR1 (0.44) GPBAR1CREBBPFFAR1RXRARXRB

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 9 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-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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 1/4885BCL2L1 2088/4885BAD 1518/4885

“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.