SCHEMBL371194

SCHEMBL371194

O=C(CC(c1ccc(Br)cc1)C1CCCC1)c1ccc(=O)[nH]c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
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 4/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
FFAR1 O14842 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
POLB P06746 1/20 0.34
PSMD14 O00487 1/20 0.34
MEN1 O00255 1/20 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
SCHEMBL370468 0.99 ALDH1A1 (0.38) EPHX2GAAMGAMSIMGAM2
SCHEMBL370161 0.98 GAA (0.37) EPHX2GAAMGAMSIMGAM2
SCHEMBL370963 0.82 CNR1 (0.36) EPHX2ALDH1A1SMN1; SMN2MAPT
SCHEMBL371102 0.77 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2MAPTFFAR1
SCHEMBL370946 0.77 EPHX2 (0.38) EPHX2GAAMGAMSIMGAM2
SCHEMBL370119 0.76 ALDH1A1 (0.38) EPHX2ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL369165 0.74 KMT2A (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL371359 0.74 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2MAPTFFAR1
SCHEMBL371358 0.74 GAA (0.46) EPHX2GAAMGAMSIMGAM2
SCHEMBL368786 0.74 KMT2A (0.39) ALDH1A1KMT2AMAPTFFAR1POLB

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.