SCHEMBL369990

SCHEMBL369990

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.48
GAA P10253 3/20 0.39
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.37
EPHX2 P34913 1/20 0.36
CYP2J2 P51589 1/20 0.35
KMT2A Q03164 1/20 0.35
APAF1 O14727 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CXCR3 P49682 1/20 0.34
MAPT P10636 1/20 0.34
SRD5A1 P18405 2/20 0.33
SRD5A2 P31213 2/20 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
SCHEMBL1390407 0.94 GPBAR1 (0.50) GPBAR1GAAMGAMSIMGAM2
SCHEMBL1390271 0.91 GPBAR1 (0.46) GPBAR1GAAMGAMSIMGAM2
SCHEMBL10291748 0.91 GPBAR1 (0.47) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369590 0.89 GPBAR1 (0.59) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369591 0.89 GPBAR1 (0.59) GPBAR1GAAMGAMSIMGAM2
SCHEMBL15949124 0.87 GPBAR1 (0.50) GPBAR1GAAMGAMSIMGAM2
SCHEMBL1390141 0.87 GPBAR1 (0.47) GPBAR1GAAMGAMSIMGAM2
SCHEMBL1390266 0.86 GPBAR1 (0.48) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369733 0.85 GPBAR1 (0.54) GPBAR1GAAMGAMSIMGAM2
SCHEMBL369140 0.85 GPBAR1 (0.54) GPBAR1GAAMGAMSIMGAM2

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 1/4885GAA 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.