SCHEMBL371338

SCHEMBL371338

COC(=O)c1ccc(-c2cccc(C(CC(=O)c3ccnc(C)c3)c3ccccc3C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.55
PSEN1 P49768 6/20 0.45
PSEN2 P49810 6/20 0.45
APH1B Q8WW43 6/20 0.45
NCSTN Q92542 6/20 0.45
APH1A Q96BI3 6/20 0.45
PSENEN Q9NZ42 6/20 0.45
CTSA P10619 3/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
EGFR P00533 1/20 0.41
CAMK2D Q13557 1/20 0.39
SLC2A1 P11166 1/20 0.39
WNT3A P56704 1/20 0.38
PORCN Q9H237 1/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL364671 0.92 GPBAR1 (0.64) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL363421 0.89 GPBAR1 (0.71) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1390018 0.89 GPBAR1 (0.71) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL364811 0.89 GPBAR1 (0.59) GPBAR1CTSANR3C2
SCHEMBL365553 0.89 GPBAR1 (0.47) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL364000 0.85 GPBAR1 (0.57) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1390079 0.85 GPBAR1 (0.53) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL362597 0.84 GPBAR1 (0.54) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL362410 0.84 GPBAR1 (0.56) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1390128 0.83 MAPK1 (0.46) GPBAR1PSEN1PSEN2APH1BNCSTN

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 1/4885PSEN1 663/4885PSEN2 1754/4885

“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.