SCHEMBL369498

SCHEMBL369498

O=C(CC(c1ccccc1)c1ccccc1)c1ccc(=O)[nH]c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.59
GAA P10253 7/20 0.50
MGAM O43451 6/20 0.50
SI P14410 6/20 0.50
MGAM2 Q2M2H8 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
GRIN2B Q13224 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4C Q9H3R0 1/20 0.41
PDPK1 O15530 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL371358 0.81 GAA (0.46) EPHX2GAAMGAMSIMGAM2
SCHEMBL369818 0.80 EPHX2 (0.52) EPHX2GAAMGAMSIMGAM2
SCHEMBL369817 0.80 EPHX2 (0.52) EPHX2GAAMGAMSIMGAM2
SCHEMBL1390463 0.80 MGAM (0.46) EPHX2GAAMGAMSIMGAM2
SCHEMBL370215 0.79 MGAM (0.53) EPHX2GAAMGAMSIMGAM2
SCHEMBL371201 0.79 MGAM (0.53) EPHX2GAAMGAMSIMGAM2
SCHEMBL1390521 0.79 MGAM (0.53) EPHX2GAAMGAMSIMGAM2
SCHEMBL370252 0.79 MGAM (0.53) EPHX2GAAMGAMSIMGAM2
SCHEMBL1390916 0.79 MGAM (0.53) EPHX2GAAMGAMSIMGAM2
SCHEMBL6200667 0.77 TSHR (0.63) GAAMGAMSIMGAM2L3MBTL1

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 EPHX2 1909/4885GAA 2696/4885MGAM 2443/4885

“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.