SCHEMBL1390299

SCHEMBL1390299

COC(=O)c1cccc(Oc2ccc(C(CC(=O)c3ccc(=O)n(C)c3)c3ccc(C)cc3)c(F)c2)c1Oc1ccc(C(CC(=O)c2ccc(=O)n(C)c2)c2ccccc2C)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
MGAM O43451 3/20 0.32
GAA P10253 3/20 0.32
SI P14410 3/20 0.32
MGAM2 Q2M2H8 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.31
HTT P42858 2/20 0.31
CTSA P10619 3/20 0.31
HIF1A Q16665 1/20 0.30
BRD4 O60885 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
P2RY14 Q15391 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1390202 0.85 KMT2A (0.35) TDP1ALDH1A1CTSABRD4KMT2A
SCHEMBL368800 0.83 FFAR1 (0.35) TDP1ALDH1A1LMNAHTTKDM4E
SCHEMBL1390300 0.83 PPARG (0.35) GAAMAPTCTSASMN1; SMN2KDM4E
SCHEMBL369570 0.80 CTSA (0.42) MAPTHTTCTSABRD4SMN1; SMN2
SCHEMBL1390236 0.80 SRD5A2 (0.36) CTSA
SCHEMBL1390374 0.79 PPARG (0.42)
SCHEMBL1390186 0.78 GPBAR1 (0.38) TDP1CTSABRD4GPBAR1
SCHEMBL370635 0.78 BRD4 (0.40) TDP1MAPTBRD4KMT2A
SCHEMBL370200 0.78 BRD4 (0.37) TDP1ALDH1A1MAPTLMNACTSA
SCHEMBL1390148 0.76 FFAR1 (0.37) TDP1LMNACTSAKDM4EKMT2A

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 3 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
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 TDP1 2650/4885MGAM 2443/4885GAA 2696/4885

“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.