SCHEMBL368732

SCHEMBL368732

COC(=O)CCCOc1ccc(C(CC(=O)c2ccc(=O)n(C)c2)c2ccc(Cl)cc2C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CXCR3 P49682 8/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36
BRD4 O60885 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MDM2 Q00987 2/20 0.34

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
SCHEMBL369210 0.93 CXCR3 (0.39) CYP1A2CYP3A4CYP2C19GAACYP2D6
SCHEMBL1390289 0.90 CXCR3 (0.37) CXCR3BRD4
SCHEMBL368917 0.88 MAPT (0.39) MAPTCYP1A2CYP3A4CYP2C19GAA
SCHEMBL368731 0.87 L3MBTL1 (0.35) CXCR3BRD4
SCHEMBL369104 0.85 PPARG (0.38)
SCHEMBL362636 0.84 CXCR3 (0.37) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL362635 0.84 CXCR3 (0.37) MAPTCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL1390397 0.83 PPARG (0.35) CXCR3BRD4
SCHEMBL371110 0.82 POLB (0.36) MAPTCYP1A2CYP3A4CYP2C19GAA
SCHEMBL370636 0.81 BRD4 (0.37) BRD4

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 MAPT 4149/4885CYP1A2 369/4885CYP3A4 1258/4885

“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.