SCHEMBL370161

SCHEMBL370161

O=C(CC(c1ccc(Br)cc1)C1CCC1)c1ccc(=O)[nH]c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FFAR1 O14842 1/20 0.36
EPHX2 P34913 2/20 0.35
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
GRIN2B Q13224 1/20 0.33

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
SCHEMBL371194 0.98 EPHX2 (0.37) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL370468 0.96 ALDH1A1 (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL370963 0.80 CNR1 (0.36) ALDH1A1SMN1; SMN2EPHX2MAPT
SCHEMBL371359 0.77 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2FFAR1CYP2D6
SCHEMBL370946 0.74 EPHX2 (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL371102 0.74 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2FFAR1MAPT
SCHEMBL370833 0.74 KMT2A (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL371358 0.74 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL370119 0.74 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2FFAR1EPHX2
SCHEMBL1390159 0.73 EPHX2 (0.39) GAAMGAMSIMGAM2ALDH1A1

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 GAA 2696/4885MGAM 2443/4885SI 3902/4885

“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.