SCHEMBL371322

SCHEMBL371322

Cc1ccccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(C(=O)NC(C)CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.38
CTSA P10619 7/20 0.38
RAB9A P51151 3/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A9 P48067 1/20 0.36
NPC1 O15118 2/20 0.35
CGAS Q8N884 1/20 0.35
CREBBP Q92793 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL1390311 1.00 BRD4 (0.39) BRD4GPBAR1CTSARAB9AMEN1
SCHEMBL1390341 1.00 BRD4 (0.39) BRD4GPBAR1CTSARAB9AMEN1
SCHEMBL370001 0.91 GPBAR1 (0.39) BRD4GPBAR1CTSAMEN1HTT
SCHEMBL370385 0.91 BRD4 (0.38) BRD4GPBAR1CTSARAB9AMEN1
SCHEMBL1390572 0.91 BRD4 (0.38) BRD4GPBAR1CTSARAB9AMEN1
SCHEMBL1390406 0.91 BRD4 (0.38) BRD4GPBAR1CTSARAB9AMEN1
SCHEMBL1389796 0.89 GPBAR1 (0.48) BRD4GPBAR1CTSARAB9AMEN1
SCHEMBL1389798 0.89 GPBAR1 (0.48) BRD4GPBAR1CTSARAB9AMEN1
SCHEMBL1390077 0.89 GPBAR1 (0.48) BRD4GPBAR1CTSARAB9AMEN1
SCHEMBL1390072 0.89 GPBAR1 (0.48) BRD4GPBAR1CTSARAB9AMEN1

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 BRD4 3540/4885GPBAR1 1/4885CTSA 3225/4885

“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.