SCHEMBL1395412

SCHEMBL1395412

CCOC(=O)C(C#N)(Cc1cccc(Br)c1)c1cccc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MMP8 P22894 1/20 0.37
MAOB P27338 2/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
ELANE P08246 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
EGFR P00533 1/20 0.36
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CNR2 P34972 1/20 0.35
CYP19A1 P11511 2/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CCR1 P32246 1/20 0.35
AMPD2 Q01433 1/20 0.35

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
SCHEMBL620972 0.76 ALDH1A1 (0.43) PPARGPPARAMMP8ALDH1A1MAPT
SCHEMBL28017215 0.76 MMP8 (0.45) PPARGPPARAMMP8MAOBPTGES
SCHEMBL13721608 0.75 MMP8 (0.47) PPARGPPARAMMP8MAOBPTGES
SCHEMBL29277152 0.75 MMP8 (0.47) PPARGPPARAMMP8MAOBPTGES
SCHEMBL10237568 0.74 RIPK1 (0.50) PPARGPPARAMMP8MAOBPTGES
SCHEMBL9632278 0.71 MMP8 (0.58) PPARGPPARAMMP8MAOBALDH1A1
SCHEMBL622374 0.70 ALDH1A1 (0.40) MMP8ALDH1A1CNR2CCR1
SCHEMBL13721547 0.69 HCAR2 (0.47) MMP8MAOBRIPK1ALDH1A1MAPT
SCHEMBL18982889 0.69 CNR2 (0.41) MMP8ALDH1A1MAPTCNR2CTSB
SCHEMBL8242278 0.69 ALDH1A1 (0.43) PPARGPPARAMMP8RIPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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 PPARG 161/4885PPARA 235/4885MMP8 3654/4885

“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.