SCHEMBL3522987

SCHEMBL3522987

CCOC(=O)C(=Cc1ccc(OCc2cccc(OC)c2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.69
FFAR1 O14842 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MRGPRX4 Q96LA9 3/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAOB P27338 4/20 0.49
APP P05067 1/20 0.48
SPHK2 Q9NRA0 2/20 0.48
SPHK1 Q9NYA1 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL7031467 0.87 NR1H4 (0.90) NR1H4MEN1KMT2ARAB9AMAOB
SCHEMBL3522982 0.84 NR1H4 (0.57) NR1H4FFAR1MEN1KMT2AMRGPRX4
SCHEMBL6041621 0.82 NR1H4 (1.00) NR1H4MEN1KMT2ARAB9AMAOB
SCHEMBL134782 0.82 MEN1 (0.64) NR1H4MEN1KMT2APKMSMN1; SMN2
SCHEMBL10600937 0.80 NR1H4 (0.65) NR1H4FFAR1MEN1KMT2APKM
SCHEMBL7215453 0.79 NR1H4 (0.63) NR1H4MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13692888 0.77 NR1H4 (0.67) NR1H4MEN1KMT2ANFKB1NFKB2
SCHEMBL31488000 0.77 MEN1 (0.64) NR1H4MEN1KMT2AMAOBALDH1A1
SCHEMBL11810976 0.77 MEN1 (0.64) NR1H4MEN1KMT2AMAOBALDH1A1
SCHEMBL1333051 0.76 NR1H4 (0.62) NR1H4MEN1KMT2ATP53SMN1; SMN2

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
US-7816367-B2 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2010-10-19 US disclosed
US-7649110-B2 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2010-01-19 US disclosed
EP-1737809-A4 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC (US) 2007-10-17 EP disclosed
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. (US) 2007-06-21 US disclosed
EP-1737809-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2007-01-03 EP disclosed
US-20060004012-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders AMGEN INC. 2006-01-05 US disclosed
WO-2005086661-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2005-09-22 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 (2 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-20060004012-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 NR1H4 1329/4885FFAR1 1245/4885MEN1 220/4885
US-20070142384-A1 Compounds, pharmaceutical compositions and methods for use in treating metabolic disorders PNLIP, IAPP, GPR119 NR1H4 1329/4885FFAR1 1245/4885MEN1 220/4885

“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.