SCHEMBL364356

SCHEMBL364356

Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(C2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR1 O14842 1/20 0.36
BRD4 O60885 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A1 P30531 2/20 0.33
S1PR5 Q9H228 1/20 0.33
CYP2D6 P10635 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
SCHEMBL368349 1.00 GPBAR1 (0.41) GPBAR1APAF1NPC1RAB9AFFAR1
SCHEMBL1390234 0.89 GPBAR1 (0.51) GPBAR1APAF1NPC1RAB9AFFAR1
SCHEMBL370165 0.89 GPBAR1 (0.51) GPBAR1APAF1NPC1RAB9AFFAR1
SCHEMBL1390613 0.89 GPBAR1 (0.51) GPBAR1APAF1NPC1RAB9AFFAR1
SCHEMBL370166 0.89 GPBAR1 (0.51) GPBAR1APAF1NPC1RAB9AFFAR1
SCHEMBL1389852 0.89 GPBAR1 (0.51) GPBAR1APAF1NPC1RAB9AFFAR1
SCHEMBL1389856 0.89 GPBAR1 (0.51) GPBAR1APAF1NPC1RAB9AFFAR1
SCHEMBL1390568 0.89 GPBAR1 (0.51) GPBAR1APAF1NPC1RAB9AFFAR1
SCHEMBL370163 0.89 GPBAR1 (0.51) GPBAR1APAF1NPC1RAB9AFFAR1
SCHEMBL1389850 0.89 GPBAR1 (0.51) GPBAR1APAF1NPC1RAB9AFFAR1

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 1/4885APAF1 2922/4885NPC1 1074/4885

“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.