SCHEMBL370963

SCHEMBL370963

O=C(CC(c1ccc(Br)cc1F)C1CCCC1)c1ccc(=O)[nH]c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
DPP4 P27487 1/20 0.35
DPP9 Q86TI2 1/20 0.35
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
PNP P00491 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
CTSS P25774 1/20 0.31
OPRM1 P35372 1/20 0.31
CCR1 P32246 1/20 0.31
CCR2 P41597 1/20 0.31

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 0.82 EPHX2 (0.37) EPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL370468 0.81 ALDH1A1 (0.38) EPHX2ALDH1A1MAPTSMN1; SMN2CTSS
SCHEMBL370161 0.80 GAA (0.37) EPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL371171 0.80 MAP2K1 (0.37) CNR1CNR2ALDH1A1MAPTLMNA
SCHEMBL370541 0.78 CNR1 (0.36) CNR1CNR2ALDH1A1MAPTLMNA
SCHEMBL1390353 0.77 EPHX2 (0.35) DPP4DPP9EPHX2ALDH1A1MAPT
SCHEMBL370946 0.76 EPHX2 (0.38) EPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL369278 0.76 GPR183 (0.38)
SCHEMBL370273 0.74 MGAM (0.37) EPHX2
SCHEMBL370369 0.72 EPHX2 (0.47) DPP4DPP9EPHX2

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 CNR1 56/4885CNR2 100/4885DPP4 817/4885

“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.