SCHEMBL371067

SCHEMBL371067

Cc1ccccc1C(CC(=O)c1ccc(=O)n(CC2CC2)c1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.46
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
KMT2A Q03164 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
MCHR1 Q99705 1/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
MAPT P10636 1/20 0.34
HSP90AA1 P07900 1/20 0.33
NTSR1 P30989 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
SCHEMBL369092 0.88 GPBAR1 (0.58) GPBAR1KMT2AOPRM1OPRD1CYP3A4
SCHEMBL369766 0.88 GPBAR1 (0.58) GPBAR1KMT2AOPRM1OPRD1CYP3A4
SCHEMBL369093 0.88 GPBAR1 (0.58) GPBAR1KMT2AOPRM1OPRD1CYP3A4
SCHEMBL15949124 0.87 GPBAR1 (0.50) GPBAR1MGAMGAASIMGAM2
SCHEMBL1390407 0.84 GPBAR1 (0.50) GPBAR1MGAMGAASIMGAM2
SCHEMBL368424 0.84 GPBAR1 (0.48) GPBAR1MGAMGAASIMGAM2
SCHEMBL1390266 0.83 GPBAR1 (0.48) GPBAR1MGAMGAASIMGAM2
SCHEMBL369990 0.83 GPBAR1 (0.48) GPBAR1MGAMGAASIMGAM2
SCHEMBL369140 0.83 GPBAR1 (0.54) GPBAR1MGAMGAASIMGAM2
SCHEMBL369733 0.83 GPBAR1 (0.54) GPBAR1MGAMGAASIMGAM2

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 GPBAR1 1/4885MGAM 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.