SCHEMBL363233

SCHEMBL363233

CCOC(=O)COc1cccc(-c2ccc(C(C/C(=N\O)c3ccncc3)c3ccccc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 3/20 0.49
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ F9 P00740 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ CTSA P10619 2/20 0.42
▸ FFAR1 O14842 2/20 0.41
▸ ROCK1 Q13464 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ AKT2 P31751 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
SCHEMBL1389571 1.00 GPBAR1 (0.49) GPBAR1HPGDKDM4EMAPTALDH1A1
SCHEMBL15949238 0.83 GPBAR1 (0.54) GPBAR1RXRARXRBCTSAFFAR1
SCHEMBL362229 0.79 GPBAR1 (0.58) GPBAR1KDM4ERXRARXRBCTSA
SCHEMBL1389885 0.79 GPBAR1 (0.58) GPBAR1KDM4ERXRARXRBCTSA
SCHEMBL1390313 0.78 GPBAR1 (0.55) GPBAR1ROCK2CYP17A1
SCHEMBL363331 0.78 GPBAR1 (0.55) GPBAR1ROCK2CYP17A1
SCHEMBL15949047 0.75 GPBAR1 (0.59) GPBAR1HSD17B10FFAR1ROCK1ROCK2
SCHEMBL368645 0.75 GPBAR1 (0.56) GPBAR1ALDH1A1FFAR1CYP17A1
SCHEMBL362212 0.75 GPBAR1 (0.56) GPBAR1ALDH1A1FFAR1CYP17A1
SCHEMBL368644 0.75 GPBAR1 (0.56) GPBAR1ALDH1A1FFAR1CYP17A1

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 14 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-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
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
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
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 1/4885HPGD 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.

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