SCHEMBL4950266

SCHEMBL4950266

C=C(C(=O)OCC)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.63
NR4A2 P43354 4/20 0.62
SMPD1 P17405 1/20 0.56
SRD5A2 P31213 1/20 0.55
PTPN1 P18031 1/20 0.54
NR1H4 Q96RI1 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPD P32754 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GUSB P08236 1/20 0.51
MAOA P21397 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50

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
SCHEMBL8354367 0.87 MAOB (0.66) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL17978704 0.87 MAOB (0.66) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL22749297 0.84 AKR1C3 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL340106 0.84 MAOB (0.69) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL70333 0.82 PTPN1 (0.73) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL12596970 0.81 MAOB (0.59) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL9006943 0.81 CES2 (0.56) MAOBALDH1A1MEN1KMT2A
SCHEMBL1765505 0.81 MAOB (0.57) MAOBNR4A2SMPD1SRD5A2PTPN1
SCHEMBL11270791 0.80 ALDH1A1 (0.57) ALDH1A1MEN1KMT2A
SCHEMBL1819500 0.80 PTPN1 (0.68) MAOBNR4A2SMPD1SRD5A2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO 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-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA MAOB 3322/4885NR4A2 102/4885SMPD1 464/4885

“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.