SCHEMBL364044

SCHEMBL364044

CC(C)(C)C(CC(=O)O)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
MME P08473 1/20 0.41
FPR2 P25090 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
LDHA P00338 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5 P09917 1/20 0.38
FFAR1 O14842 1/20 0.37
CNR2 P34972 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL26621253 0.84 CYP2C9 (0.45) CYP1A2LMNACYP2C19FFAR1MAPT
SCHEMBL3355077 0.84 CYP2C9 (0.45) CYP1A2LMNACYP2C19FFAR1MAPT
SCHEMBL3299318 0.83 MAPT (0.51) CYP2C19FFAR1MAPT
SCHEMBL25152388 0.83 MAPT (0.51) CYP2C19FFAR1MAPT
SCHEMBL25152152 0.83 MAPT (0.51) CYP2C19FFAR1MAPT
SCHEMBL17892089 0.77 CYP1A2 (0.38) CYP1A2KMT2ASMN1; SMN2POLBMEN1
SCHEMBL363257 0.77 MEN1 (0.43) CYP1A2KMT2ASMN1; SMN2POLBMEN1
SCHEMBL363256 0.76 ALDH1A1 (0.41) CYP1A2KMT2ASMN1; SMN2POLBMEN1
SCHEMBL15778234 0.76 FFAR1 (0.59) CYP1A2KMT2ASMN1; SMN2LMNAALOX5
SCHEMBL11324400 0.76 FFAR1 (0.59) CYP1A2KMT2ASMN1; SMN2LMNAALOX5

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 CYP1A2 369/4885MME 2912/4885FPR2 356/4885

“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.