SCHEMBL2001379

SCHEMBL2001379

CCOC(=O)Cc1ccc(Oc2ccc3[nH]c(C(=O)OCC)cc3c2[N+](=O)[O-])c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
DRD2 P14416 1/20 0.38
MAPT P10636 5/20 0.38
TTR P02766 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 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
SCHEMBL2006635 0.90 CYP3A4 (0.46) ALDH1A1LMNAKDM4EHTTDRD2
SCHEMBL2000728 0.87 DRD2 (0.39) ALDH1A1LMNAKDM4EDRD2MAPT
SCHEMBL12628073 0.86 PTGDR (0.39) ALDH1A1LMNAKDM4EHTTDRD2
SCHEMBL2010090 0.84 FBP1 (0.43) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL2007357 0.83 MAPT (0.41) ALDH1A1LMNAKDM4EL3MBTL1MAPT
SCHEMBL2010966 0.82 CYP3A4 (0.45) ALDH1A1KDM4EHPGDMAPTTTR
SCHEMBL14015527 0.79 MAPT (0.42) ALDH1A1LMNAKDM4EHPGDMAPT
SCHEMBL2006831 0.79 MAPT (0.46) ALDH1A1LMNAKDM4EMAPTTTR
SCHEMBL2004735 0.79 CYP3A4 (0.56) ALDH1A1KDM4EHPGDMAPTTTR
SCHEMBL2012915 0.78 ALDH1A1 (0.46) ALDH1A1LMNAHPGDHTTL3MBTL1

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
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
EP-2164828-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION Amgen Inc. (US) 2010-03-24 EP disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 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-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION CCL11, LTC4S, TSLP ALDH1A1 495/4885LMNA 4658/4885KDM4E 2160/4885

“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.