SCHEMBL369531

SCHEMBL369531

Cn1cc(C(=O)CC(c2ccccc2)c2ccccc2)ccc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.51
CREBBP Q92793 3/20 0.43
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDPK1 O15530 1/20 0.39
ATM Q13315 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39

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
SCHEMBL14891644 0.88 BRD4 (0.45) BRD4CREBBPKMT2AMEN1LMNA
SCHEMBL14891642 0.88 BRD4 (0.45) BRD4CREBBPKMT2AMEN1LMNA
SCHEMBL370259 0.83 KMT2A (0.40) BRD4CREBBPKMT2AHTTMEN1
SCHEMBL1390094 0.82 GPBAR1 (0.45) BRD4CREBBPKMT2AHTTMEN1
SCHEMBL368144 0.81 BRD4 (0.46) BRD4CREBBPKMT2AHTTMEN1
SCHEMBL368143 0.81 BRD4 (0.46) BRD4CREBBPKMT2AHTTMEN1
SCHEMBL1390355 0.81 MAPT (0.39) BRD4CREBBPKMT2AHTTMEN1
SCHEMBL369140 0.80 GPBAR1 (0.54) BRD4KMT2AHTTMEN1ALDH1A1
SCHEMBL369733 0.80 GPBAR1 (0.54) BRD4KMT2AHTTMEN1ALDH1A1
SCHEMBL369139 0.80 GPBAR1 (0.54) BRD4KMT2AHTTMEN1ALDH1A1

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 3540/4885CREBBP 2198/4885KMT2A 3981/4885

“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.