SCHEMBL368673

SCHEMBL368673

Cc1ccccc1[C@H](CC(=O)c1ccc(=O)n(C)c1)c1ccc(C2CCNCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.41
GPBAR1 Q8TDU6 3/20 0.38
BRD4 O60885 1/20 0.35
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
OPRD1 P41143 1/20 0.34
MCHR1 Q99705 1/20 0.34
LIMK2 P53671 1/20 0.34
P2RY14 Q15391 1/20 0.34
NAMPT P43490 1/20 0.34
FFAR1 O14842 1/20 0.34
TLR4 O00206 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL368674 1.00 APAF1 (0.41) APAF1GPBAR1BRD4SLC18A3SIGMAR1
SCHEMBL368349 0.89 GPBAR1 (0.41) APAF1GPBAR1BRD4FFAR1
SCHEMBL364356 0.89 GPBAR1 (0.41) APAF1GPBAR1BRD4FFAR1
SCHEMBL370534 0.88 GPBAR1 (0.47) APAF1GPBAR1BRD4SLC18A3SIGMAR1
SCHEMBL370535 0.88 GPBAR1 (0.47) APAF1GPBAR1BRD4SLC18A3SIGMAR1
SCHEMBL370536 0.88 GPBAR1 (0.47) APAF1GPBAR1BRD4SLC18A3SIGMAR1
SCHEMBL370533 0.88 GPBAR1 (0.47) APAF1GPBAR1BRD4SLC18A3SIGMAR1
SCHEMBL371362 0.88 APAF1 (0.41) APAF1GPBAR1SIGMAR1
SCHEMBL368175 0.87 APAF1 (0.40) APAF1GPBAR1BRD4MCHR1
SCHEMBL368174 0.87 APAF1 (0.40) APAF1GPBAR1BRD4MCHR1

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 APAF1 2922/4885GPBAR1 1/4885BRD4 3540/4885

“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.