SCHEMBL363436

SCHEMBL363436

Cc1cc(Cl)ccc1C(CC(=O)O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
KEAP1 Q14145 3/20 0.43
NFE2L2 Q16236 1/20 0.43
GABBR2 O75899 3/20 0.43
GABBR1 Q9UBS5 3/20 0.43
CYP2C9 P11712 3/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
NFKB1 P19838 1/20 0.43
DRD3 P35462 1/20 0.43
BLM P54132 1/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
PRKCZ Q05513 1/20 0.42
PTGFR P43088 2/20 0.41

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
SCHEMBL362679 0.83 KEAP1 (0.43) KMT2AKEAP1NFE2L2MEN1FFAR1
SCHEMBL363757 0.83 LMNA (0.41) KMT2AKEAP1NFE2L2CYP2C9MEN1
SCHEMBL366084 0.83 LMNA (0.41) KMT2AKEAP1NFE2L2CYP2C9MEN1
SCHEMBL368816 0.81 KMT2A (0.46) KMT2AKEAP1NFE2L2CYP2C9MEN1
SCHEMBL656899 0.81 GABBR2 (0.47) KMT2AGABBR2GABBR1CYP2C9MEN1
SCHEMBL363250 0.80 KMT2A (0.46) KMT2AGPBAR1POLB
SCHEMBL365581 0.80 KMT2A (0.46) KMT2AGPBAR1POLB
SCHEMBL365582 0.80 KMT2A (0.46) KMT2AGPBAR1POLB
SCHEMBL1979348 0.80 KMT2A (0.58) KMT2AKEAP1GABBR2GABBR1CYP2C9
SCHEMBL1390346 0.80 GPBAR1 (0.56) KMT2ACYP2C9MEN1LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153945-B 1-oximino-3-phenyl-propanes HOFFMAN-LA ROCHE LTD. (CH) 2016-03-02 CN disclosed
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
CN-103153945-A 1-oximino-3-phenyl-propanes HOFFMANN LA ROCHE 2013-06-12 CN 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 KMT2A 3981/4885KEAP1 1693/4885NFE2L2 488/4885

“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.