SCHEMBL2531901

SCHEMBL2531901

CN(CC(O)c1ccc(OC(=O)c2ccc(F)cc2Cl)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NR1H4 Q96RI1 3/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
AOC3 Q16853 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDK2 Q15119 2/20 0.34

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
SCHEMBL2526962 0.90 HIF1A (0.40) MAPTCYP11B1CYP11B2AOC3SLC6A4
SCHEMBL2531945 0.90 NR1H4 (0.47) RAB9AHPGDKMT2ANPC1MAPT
SCHEMBL2528158 0.86 KMT2A (0.41) RAB9AHPGDKMT2ANPC1MAPT
SCHEMBL2529323 0.84 AOC3 (0.34) KMT2AMAPTAOC3PDK2
SCHEMBL2532097 0.83 AOC3 (0.42) KMT2AMAPTAOC3SLC6A2SLC6A4
SCHEMBL2532601 0.83 AURKA (0.33) MAPTAOC3PDK2KAT6AKAT5
SCHEMBL2531959 0.82 AAK1 (0.37) KMT2AMAPT
SCHEMBL2531401 0.82 ESR1 (0.46) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL2529315 0.82 AOC3 (0.35) KMT2AAOC3PDK2
SCHEMBL2529246 0.82 NR1H4 (0.37) KMT2AMAPTNR1H4AOC3F2R

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-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 RAB9A 1157/4885HPGD 1523/4885ALOX15 469/4885

“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.